Geometry & MOs

Info

ID:	155377
PubChem CID:	56352999
Reduced:	NOC11H18 (2)
Stoich.:	ABC11D18 (2)
Weight, g/mol:	474.129652
ΔH_f, kcal/mol:	-131.78
Dipole, Da:	3.85
IP(EA), eV:	-8.67(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)C3C4CC5CC(C4)CC3C5

DOS

IR

Vibrations