Geometry & MOs

Info

ID:	86298
PubChem CID:	49883967
Reduced:	S2O3N4C25H30 (1)
Stoich.:	A2B3C4D25E30 (1)
Weight, g/mol:	395.072196
ΔH_f, kcal/mol:	-33.96
Dipole, Da:	7.26
IP(EA), eV:	-8.96(-0.98)
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-carbamoylacetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)SC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations