Geometry & MOs

Info

ID:	7645
PubChem CID:	73601
Reduced:	PO9C19H27 (1)
Stoich.:	AB9C19D27 (1)
Weight, g/mol:	430.139269
ΔH_f, kcal/mol:	-420.12
Dipole, Da:	4.31
IP(EA), eV:	-9.38(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@](C=C[C@@H]1CC=CC(=O)O1)([C@@H](C[C@H](C=CC=CC=CCO)O)OP(=O)(O)O)O

DOS

IR

Vibrations