Geometry & MOs

Info

ID:	433424
PubChem CID:	135173561
Reduced:	SO3N4C14H24 (1)
Stoich.:	AB3C4D14E24 (1)
Weight, g/mol:	806.354031
ΔH_f, kcal/mol:	-129.86
Dipole, Da:	1.94
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[1-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]-2-(2-hydroxy-6-oxopiperidin-3-yl)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@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC2CSC=N2)O)N

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@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC2CSC=N2)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):