Geometry & MOs

Info

ID:	234076
PubChem CID:	92297671
Reduced:	NSO4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	569.275053
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	3.86
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-2,3-dimethylanilino)-2-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

C[C@H](C(CO)(CO)[N+](=O)[O-])SC1=CC=CC=C1

DOS

IR

Vibrations