Geometry & MOs

Info

ID:	234846
PubChem CID:	92303597
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	422.13972
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	3.86
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H]2CC(=O)N(C(=C2C(=O)OCC=C)C)CC3=CC(=CC=C3)C#N)C

DOS

IR

Vibrations