Geometry & MOs

Info

ID:	57858
PubChem CID:	24277867
Reduced:	SO2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	433.109627
ΔH_f, kcal/mol:	16.4
Dipole, Da:	6.73
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-ethylphenyl)sulfonyl-5-phenyltriazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)CSC3=CC=CC=C3

DOS

IR

Vibrations