Geometry & MOs

Info

ID:	394177
PubChem CID:	135022477
Reduced:	N2S2O4H22C25 (1)
Stoich.:	A2B2C4D22E25 (1)
Weight, g/mol:	616.14905
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	4.02
IP(EA), eV:	-9.27(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=N4

DOS

IR

Vibrations