Geometry & MOs

Info

ID:

215588

PubChem CID:

85084949

Reduced:

N2O21C54H54 (1)

Stoich.:

A2B21C54D54 (1)

Weight, g/mol:

1066.519604

ΔHf, kcal/mol:

-751.48

Dipole, Da:

7.57

IP(EA), eV:

 -8.87(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[6-(3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C=NC6CC(OC(C6O)C)OC7CC(CC8=C7C(=C9C(=C8O)C(=O)C1=C(C9=O)C(=CC=C1)OC)O)(C(=O)CO)O)O)N)O

DOS

IR

Vibrations