Geometry & MOs

Info

ID:	234948
PubChem CID:	92303768
Reduced:	NO3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	385.14895
ΔH_f, kcal/mol:	-86.31
Dipole, Da:	0.9
IP(EA), eV:	-9.21(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-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=C3C)C(=O)OCC=C)C

DOS

IR

Vibrations