Geometry & MOs

Info

ID:	235099
PubChem CID:	92304037
Reduced:	SN2O2H24C25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	413.18025
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	5.38
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations