Geometry & MOs

Info

ID:	235022
PubChem CID:	92303903
Reduced:	ClON2H23C25 (1)
Stoich.:	ABC2D23E25 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	19.93
Dipole, Da:	2.83
IP(EA), eV:	-8.71(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (4S)-1-[(2-cyanophenyl)methyl]-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)C[C@H](C2=CC=CC=C2Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations