Geometry & MOs

Info

ID:	68290
PubChem CID:	46508122
Reduced:	SO3N5H15C17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	471.149574
ΔH_f, kcal/mol:	49.67
Dipole, Da:	2.07
IP(EA), eV:	-8.97(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN(C=N2)C3=CC=CC=C3

DOS

IR

Vibrations