Geometry & MOs

Info

ID:	86211
PubChem CID:	49882920
Reduced:	ClS2O3N4C21H23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	499.080653
ΔH_f, kcal/mol:	-59.42
Dipole, Da:	3.3
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations