Geometry & MOs

Info

ID:	234876
PubChem CID:	92303640
Reduced:	NF3O3H20C23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	391.214744
ΔH_f, kcal/mol:	-205.81
Dipole, Da:	2.06
IP(EA), eV:	-9.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C([C@@H](CC(=O)N1CC2=C(C(=CC=C2)F)F)C3=CC(=CC=C3)F)C(=O)OCC=C

DOS

IR

Vibrations