Geometry & MOs

Info

ID:	54352
PubChem CID:	17098052
Reduced:	NO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	310.088832
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	3.48
IP(EA), eV:	-8.53(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OCC=C)OC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations