Geometry & MOs

Info

ID:	86192
PubChem CID:	49882584
Reduced:	O2S2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	460.123898
ΔH_f, kcal/mol:	0.26
Dipole, Da:	2.8
IP(EA), eV:	-8.91(-0.54)
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-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations