Geometry & MOs

Info

ID:	234949
PubChem CID:	92303770
Reduced:	NF2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	393.174022
ΔH_f, kcal/mol:	-186.32
Dipole, Da:	1.8
IP(EA), eV:	-9.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)C[C@H]1C2=CC=CC=C2F)CC3=CC=C(C=C3)F)C

DOS

IR

Vibrations