Geometry & MOs

Info

ID:	234787
PubChem CID:	92303494
Reduced:	ClSN2O2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	417.155178
ΔH_f, kcal/mol:	-59.49
Dipole, Da:	5.22
IP(EA), eV:	-8.71(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)CCl

DOS

IR

Vibrations