Geometry & MOs

Info

ID:	234982
PubChem CID:	92303824
Reduced:	SF2N2O2H16C22 (1)
Stoich.:	AB2C2D2E16F22 (1)
Weight, g/mol:	411.160121
ΔH_f, kcal/mol:	-93.84
Dipole, Da:	6.2
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)N([C@@H](S1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)C4=CC=CC=C4F

DOS

IR

Vibrations