Geometry & MOs

Info

ID:

168466

PubChem CID:

74972702

Reduced:

P2O7C17H27 (1)

Stoich.:

A2B7C17D27 (1)

Weight, g/mol:

2156.65419

ΔHf, kcal/mol:

-229.22

Dipole, Da:

4.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.784596

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-10,15,20,25,30,35,40-heptakis[2-(2-hydroxyethoxy)ethylsulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]ethoxy]propanoic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])[O-])C(=C)C)C)C

DOS

IR

Vibrations