Geometry & MOs

Info

ID:	86201
PubChem CID:	49882687
Reduced:	S2N4O4C21H24 (1)
Stoich.:	A2B4C4D21E24 (1)
Weight, g/mol:	540.069275
ΔH_f, kcal/mol:	-73.09
Dipole, Da:	6.39
IP(EA), eV:	-8.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-benzoyl-4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations