Geometry & MOs

Info

ID:	86200
PubChem CID:	49882665
Reduced:	O2S2N3C18H19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	460.123898
ΔH_f, kcal/mol:	7.48
Dipole, Da:	2.2
IP(EA), eV:	-8.88(-0.56)
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-ethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)SC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations