Geometry & MOs

Info

ID:	234844
PubChem CID:	92303593
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	6.62
IP(EA), eV:	-8.9(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (4S)-1-[(3-cyanophenyl)methyl]-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations