Geometry & MOs

Info

ID:	54638
PubChem CID:	17389022
Reduced:	ClSN3O3C14H14 (1)
Stoich.:	ABC3D3E14F14 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-109.59
Dipole, Da:	9.77
IP(EA), eV:	-8.63(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-N-(1H-benzimidazol-2-ylmethyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NC(=O)C)Cl

DOS

IR

Vibrations