Geometry & MOs

Info

ID:

219164

PubChem CID:

85091143

Reduced:

SN2F3O8C30H41 (1)

Stoich.:

AB2C3D8E30F41 (1)

Weight, g/mol:

649.322713

ΔHf, kcal/mol:

-346.87

Dipole, Da:

3.48

IP(EA), eV:

 -9.08(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-acetyloxy-3-[(3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl)oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O[N+](=O)[O-])C)C)C5([NH+](C(CO5)(C)C)[O-])CSCF

DOS

IR

Vibrations