Geometry & MOs

Info

ID:	234966
PubChem CID:	92303799
Reduced:	N2O3H24C26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	397.144471
ΔH_f, kcal/mol:	-34.66
Dipole, Da:	3.71
IP(EA), eV:	-8.41(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (4S)-1-benzyl-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H](C2=C3C(=CC=C2)OCO3)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations