Geometry & MOs

Info

ID:

168470

PubChem CID:

74973537

Reduced:

O2C21H30 (1)

Stoich.:

A2B21C30 (1)

Weight, g/mol:

2064.139228

ΔHf, kcal/mol:

-120.81

Dipole, Da:

1.41

IP(EA), eV:

 -8.7(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

octasodium;2-[[10,15,20,25,30,35,40-heptakis(carboxylatomethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-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]acetate

Drug info:

PubChemData

Smile

CC1(CCC(C2(C1C3CCC4=C(C3CC2)C=CC(=C4)O)C)O)C

DOS

IR

Vibrations