Geometry & MOs

Info

ID:	169515
PubChem CID:	75114725
Reduced:	P2O14C49H84 (1)
Stoich.:	A2B14C49D84 (1)
Weight, g/mol:	414.079826
ΔH_f, kcal/mol:	-798.45
Dipole, Da:	9.74
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2,3,4-trihydroxy-5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]hexanedioate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC(=CCOCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C

DOS

IR

Vibrations