Geometry & MOs

Info

ID:	57879
PubChem CID:	24278165
Reduced:	ClSO2N3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	482.98884
ΔH_f, kcal/mol:	19.24
Dipole, Da:	6.37
IP(EA), eV:	-9.01(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-bromophenyl)sulfonyl-5-phenyltriazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCC2=C(N=NN2C3=CC=CC=C3Cl)C(=O)O

DOS

IR

Vibrations