Geometry & MOs

Info

ID:	59607
PubChem CID:	24883851
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	426.204239
ΔH_f, kcal/mol:	0.46
Dipole, Da:	8.14
IP(EA), eV:	-8.41(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,7-dimethyloctyl)-2-(3,4,5-trihydroxyphenyl)chromene-3,4-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)[C@H](C(=NCC)[S-])[N+]2=CC=CC(=C2)CO

DOS

IR

Vibrations