Geometry & MOs

Info

ID:	234950
PubChem CID:	92303771
Reduced:	FNO3C24H24 (1)
Stoich.:	ABC3D24E24 (1)
Weight, g/mol:	393.174022
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	4.02
IP(EA), eV:	-9.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C([C@@H](CC2=O)C3=CC(=CC=C3)F)C(=O)OCC=C)C

DOS

IR

Vibrations