Geometry & MOs

Info

ID:	234973
PubChem CID:	92303810
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	411.1646
ΔH_f, kcal/mol:	-48.93
Dipole, Da:	5.79
IP(EA), eV:	-8.35(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@H](CC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations