Geometry & MOs

Info

ID:	234836
PubChem CID:	92303578
Reduced:	OCl2N2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	395.189672
ΔH_f, kcal/mol:	1.02
Dipole, Da:	5.0
IP(EA), eV:	-8.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@@H](CC(=O)NC3CC3)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations