Geometry & MOs

Info

ID:	234955
PubChem CID:	92303777
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	385.14895
ΔH_f, kcal/mol:	-94.25
Dipole, Da:	3.2
IP(EA), eV:	-8.44(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2[C@@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations