Geometry & MOs

Info

ID:	394176
PubChem CID:	135022476
Reduced:	NSO3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	478.1021
ΔH_f, kcal/mol:	-42.46
Dipole, Da:	6.69
IP(EA), eV:	-8.69(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=C/C(=C\3/C=CC=CN3)/C(=O)C=C2

DOS

IR

Vibrations