Geometry & MOs

Info

ID:

221787

PubChem CID:

85286143

Reduced:

O8C14H15 (2)

Stoich.:

A8B14C15 (2)

Weight, g/mol:

622.298927

ΔHf, kcal/mol:

-624.46

Dipole, Da:

6.66

IP(EA), eV:

 -9.01(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[8-(3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)-5-acetyloxy-2-hydroxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methoxy]-4-oxobutan-2-yl] 3-acetyloxybutanoate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(C(OC1OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(CO4)O)O)O)C5=CC=C(C=C5)O)CO)O)O

DOS

IR

Vibrations