Geometry & MOs

Info

ID:	236487
PubChem CID:	92713419
Reduced:	FN2O5C24H31 (1)
Stoich.:	AB2C5D24E31 (1)
Weight, g/mol:	416.213364
ΔH_f, kcal/mol:	-257.25
Dipole, Da:	3.6
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)[C@@H](C2=CC(=CC=C2)F)C3=C(C=C(N(C3=O)CCOC)C)O

DOS

IR

Vibrations