Geometry & MOs

Info

ID:	86290
PubChem CID:	49883914
Reduced:	S2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	566.084925
ΔH_f, kcal/mol:	-99.26
Dipole, Da:	1.53
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)SC1=NN=C(N1CC=C)CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations