Geometry & MOs

Info

ID:	138326
PubChem CID:	52348451
Reduced:	SN2O3C9H10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	7.06
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+]1=C(SC=C1)NC(=O)[C@@H]2C[C@H]2C(=O)[O-]

DOS

IR

Vibrations