Geometry & MOs

Info

ID:	83325
PubChem CID:	49857452
Reduced:	ClO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	403.064507
ΔH_f, kcal/mol:	-37.64
Dipole, Da:	2.66
IP(EA), eV:	-9.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)/C=C/OC(C#C)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations