Geometry & MOs

Info

ID:	86191
PubChem CID:	49882566
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	387.107519
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	5.43
IP(EA), eV:	-8.92(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonylmethyl)-4-ethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3)C

DOS

IR

Vibrations