Geometry & MOs

Info

ID:	235060
PubChem CID:	92303963
Reduced:	SN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	367.158372
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	6.27
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations