Geometry & MOs

Info

ID:	83327
PubChem CID:	49857454
Reduced:	ClO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	417.080157
ΔH_f, kcal/mol:	-57.59
Dipole, Da:	3.03
IP(EA), eV:	-9.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations