Geometry & MOs

Info

ID:	71872
PubChem CID:	48415560
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	412.114002
ΔH_f, kcal/mol:	39.65
Dipole, Da:	2.02
IP(EA), eV:	-8.96(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations