Geometry & MOs

Info

ID:	139091
PubChem CID:	52470614
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	6.73
IP(EA), eV:	-8.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@@H]3CC(=O)N(C3)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations