Geometry & MOs

Info

ID:	401652
PubChem CID:	135051985
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	432.125612
ΔH_f, kcal/mol:	-66.27
Dipole, Da:	6.45
IP(EA), eV:	-9.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[5-(4-methylbenzoyl)-3-phenyltriazol-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=NN2C3CCCCC3)C(=O)C

DOS

IR

Vibrations