Geometry & MOs

Info

ID:	235100
PubChem CID:	92304038
Reduced:	NF2O3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	413.18025
ΔH_f, kcal/mol:	-200.92
Dipole, Da:	3.03
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations