Geometry & MOs

Info

ID:	68289
PubChem CID:	46508121
Reduced:	SCl2N4O4C18H26 (1)
Stoich.:	AB2C4D4E18F26 (1)
Weight, g/mol:	369.089561
ΔH_f, kcal/mol:	-170.42
Dipole, Da:	2.41
IP(EA), eV:	-8.88(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-nitrophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations