Geometry & MOs

Info

ID:	57853
PubChem CID:	24277812
Reduced:	SN3O4H13C16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	-55.02
Dipole, Da:	5.81
IP(EA), eV:	-10.14(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-1-phenyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations