Geometry & MOs

Info

ID:	433784
PubChem CID:	135173926
Reduced:	SF3N6O10C41H47 (1)
Stoich.:	AB3C6D10E41F47 (1)
Weight, g/mol:	736.285677
ΔH_f, kcal/mol:	-458.05
Dipole, Da:	12.89
IP(EA), eV:	-8.78(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C(C)(C(=C)C(=O)NC1CCC(=O)NC1O)OCCOCCOC2=CC=C(C=C2)C3=CC4=C(NC=C4C(=O)C5=C(C=CC(=C5F)NS(=O)(=O)N6CC[C@H](C6)F)F)N=C3)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C(C)(C(=C)C(=O)NC1CCC(=O)NC1O)OCCOCCOC2=CC=C(C=C2)C3=CC4=C(NC=C4C(=O)C5=C(C=CC(=C5F)NS(=O)(=O)N6CC[C@H](C6)F)F)N=C3)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):