Geometry & MOs

Info

ID:	401688
PubChem CID:	135052140
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	5.92
IP(EA), eV:	-9.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[5-(4-methylbenzoyl)-3-propan-2-yltriazol-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=NN2C3CCCCC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations