Geometry & MOs

Info

ID:	234956
PubChem CID:	92303779
Reduced:	NF2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	385.14895
ΔH_f, kcal/mol:	-187.42
Dipole, Da:	2.9
IP(EA), eV:	-9.45(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-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=C2)F)CC3=CC(=CC=C3)F)C

DOS

IR

Vibrations