Geometry & MOs

Info

ID:	391473
PubChem CID:	135005541
Reduced:	IO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	489.145738
ΔH_f, kcal/mol:	-81.02
Dipole, Da:	2.2
IP(EA), eV:	-9.25(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enylsulfanyl]ethyl]benzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)CC(C1=CC=CC=C1)I

DOS

IR

Vibrations