Geometry & MOs

Info

ID:	384951
PubChem CID:	134978021
Reduced:	BrPO2C22H22 (1)
Stoich.:	ABC2D22E22 (1)
Weight, g/mol:	415.145344
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	3.32
IP(EA), eV:	-8.74(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC(OC(=O)C)P(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)Br

DOS

IR

Vibrations