Geometry & MOs

Info

ID:	71848
PubChem CID:	48415534
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	372.173231
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	6.81
IP(EA), eV:	-8.63(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations