Geometry & MOs

Info

ID:	140336
PubChem CID:	52683937
Reduced:	SO2N5H20C23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	372.160456
ΔH_f, kcal/mol:	98.52
Dipole, Da:	1.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.024712
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=C2)C(=O)CSC3=NC4=C(C=NN4C5=CC=CC=C5)C(=N3)[O-]

DOS

IR

Vibrations