Geometry & MOs

Info

ID:	382906
PubChem CID:	134974339
Reduced:	OC17H24 (1)
Stoich.:	AB17C24 (1)
Weight, g/mol:	421.117021
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	2.37
IP(EA), eV:	-8.86(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethylsulfanyl-5-[hydroxy(quinolin-2-yl)methyl]-2-(4-methylphenyl)-2,3-dihydrothiopyran-4-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCC3C2CC4C3C=CC=C4)O

DOS

IR

Vibrations