Geometry & MOs

Info

ID:	839
PubChem CID:	3422
Reduced:	PO9C19H27 (1)
Stoich.:	AB9C19D27 (1)
Weight, g/mol:	430.139269
ΔH_f, kcal/mol:	-411.11
Dipole, Da:	5.82
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,6,13-trihydroxy-3-methyl-1-(6-oxo-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C=CC1CC=CC(=O)O1)(C(CC(C=CC=CC=CCO)O)OP(=O)(O)O)O

DOS

IR

Vibrations