Geometry & MOs

Info

ID:	1213
PubChem CID:	3997
Reduced:	O6C23H24 (1)
Stoich.:	A6B23C24 (1)
Weight, g/mol:	396.157288
ΔH_f, kcal/mol:	-186.05
Dipole, Da:	5.04
IP(EA), eV:	-8.35(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6,8,9-tetrahydroxy-7-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)xanthen-3-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=C(C2=C1OC3=C(C(=O)C=CC3=C2O)O)O)C(C)(C)C=C)O)C

DOS

IR

Vibrations