Geometry & MOs

Info

ID:	234927
PubChem CID:	92303728
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	413.18025
ΔH_f, kcal/mol:	-90.61
Dipole, Da:	2.63
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=CC(=C1)[C@H]2N(C(=O)CS2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations