Geometry & MOs

Info

ID:	129407
PubChem CID:	51072502
Reduced:	O3N4H12C16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	8.38
IP(EA), eV:	-8.46(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CN4C=CC=CC4=N3

DOS

IR

Vibrations