Geometry & MOs

Info

ID:	434704
PubChem CID:	135175534
Reduced:	SN2O3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	747.280532
ΔH_f, kcal/mol:	-111.34
Dipole, Da:	2.67
IP(EA), eV:	-8.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[3-[3-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]azetidin-1-yl]azetidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-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

C[C@@H](CN[C@H](C)S)OC1=NC=C(C=C1)OCC(=O)C(C)C

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

C[C@@H](CN[C@H](C)S)OC1=NC=C(C=C1)OCC(=O)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):