Geometry & MOs

Info

ID:	138399
PubChem CID:	52360203
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	371.085911
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	2.46
IP(EA), eV:	-8.93(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-chlorophenyl)sulfanylethanone

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations