Geometry & MOs

Info

ID:	57872
PubChem CID:	24278083
Reduced:	ClO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	468.02556
ΔH_f, kcal/mol:	-18.38
Dipole, Da:	5.64
IP(EA), eV:	-10.06(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-bromophenyl)sulfonyl-5-(4-methylphenyl)triazol-1-yl]aniline

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2=CC(=CC=C2)Cl)C(=O)O

DOS

IR

Vibrations