Geometry & MOs

Info

ID:	28600
PubChem CID:	828536
Reduced:	NSO5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	300.068097
ΔH_f, kcal/mol:	-159.28
Dipole, Da:	10.02
IP(EA), eV:	-9.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)[C@@H]3N(C2=O)[C@@H](CS3)C(=O)O)OC

DOS

IR

Vibrations