Geometry & MOs

Info

ID:	399267
PubChem CID:	135039259
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	441.124609
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	2.89
IP(EA), eV:	-9.38(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6S,8aS)-6-ethylsulfanyl-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC(=C)C12C3C4CC5C3C(O1)(C6C5C4C26)O

DOS

IR

Vibrations