Geometry & MOs

Info

ID:	234788
PubChem CID:	92303495
Reduced:	NF3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	417.155178
ΔH_f, kcal/mol:	-240.24
Dipole, Da:	3.44
IP(EA), eV:	-9.31(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C([C@@H](CC(=O)N1CC2=C(C=C(C=C2)F)F)C3=CC=CC=C3F)C(=O)OC(C)C

DOS

IR

Vibrations