Geometry & MOs

Info

ID:	327274
PubChem CID:	126689386
Reduced:	SN4O7C27H34 (1)
Stoich.:	AB4C7D27E34 (1)
Weight, g/mol:	459.176976
ΔH_f, kcal/mol:	-209.6
Dipole, Da:	3.27
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-5-(2-oxocyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=CC(=C2)C3=CC=C(C=C3)OCCCN4CCOCC4)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations