Geometry & MOs

Info

ID:	219215
PubChem CID:	85096544
Reduced:	NO5C27H43 (1)
Stoich.:	AB5C27D43 (1)
Weight, g/mol:	464.131862
ΔH_f, kcal/mol:	-253.76
Dipole, Da:	4.11
IP(EA), eV:	-8.57(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-hydroxy-5,7-dimethoxy-3-methyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]isochromen-1-one

Drug info:

PubChemData

Smile

CCCCCC(CC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC)OC(=O)C

DOS

IR

Vibrations