Geometry & MOs

Info

ID:	335592
PubChem CID:	127254454
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	6.07
IP(EA), eV:	-8.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=C2CSCC2=NN1C)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations