Geometry & MOs

Info

ID:	234875
PubChem CID:	92303639
Reduced:	NOC13H13 (2)
Stoich.:	ABC13D13 (2)
Weight, g/mol:	415.139528
ΔH_f, kcal/mol:	-11.03
Dipole, Da:	3.32
IP(EA), eV:	-8.4(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)C[C@H](C2=CC=C(C=C2)OC)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations