Geometry & MOs

Info

ID:	234834
PubChem CID:	92303576
Reduced:	ClNO3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	411.160121
ΔH_f, kcal/mol:	-119.5
Dipole, Da:	1.68
IP(EA), eV:	-9.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (4S)-4-(2-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=C([C@@H](CC2=O)C3=CC=CC=C3Cl)C(=O)OC(C)C)C

DOS

IR

Vibrations