Geometry & MOs

Info

ID:	401653
PubChem CID:	135051986
Reduced:	SO3N4H20C23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	418.109962
ΔH_f, kcal/mol:	14.19
Dipole, Da:	6.25
IP(EA), eV:	-9.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzoyl-3-phenyltriazol-4-yl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(N(N=N2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations