Geometry & MOs

Info

ID:	234967
PubChem CID:	92303801
Reduced:	ClNO3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	397.144471
ΔH_f, kcal/mol:	-108.6
Dipole, Da:	3.19
IP(EA), eV:	-9.31(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C([C@@H](CC(=O)N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OC(C)C

DOS

IR

Vibrations