Geometry & MOs

Info

ID:	235037
PubChem CID:	92303926
Reduced:	ON2F3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	394.10842
ΔH_f, kcal/mol:	-173.2
Dipole, Da:	3.38
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C[C@@H](C1=CC=CC=C1C(F)(F)F)C2=CNC3=C(C=CC=C23)CC

DOS

IR

Vibrations