Geometry & MOs

Info

ID:

168682

PubChem CID:

75002356

Reduced:

SN4O6C26H32 (1)

Stoich.:

AB4C6D26E32 (1)

Weight, g/mol:

1888.901183

ΔHf, kcal/mol:

-185.98

Dipole, Da:

6.07

IP(EA), eV:

 -8.98(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

octasodium;[3,4-dihydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-(1-hydroxy-4-oxo-4-prop-2-enoxybut-2-en-2-yl)oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-2-prop-2-enoxycarbonyl-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-2-prop-2-enoxycarbonyl-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)oxan-2-yl]methyl sulfate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)(C(=O)NC2=CC=CC(=C2)CN)NCC(C3=CC(=C(C=C3)O)NS(=O)(=O)C)O

DOS

IR

Vibrations