Geometry & MOs

Info

ID:

224461

PubChem CID:

85343407

Reduced:

O3C10H12 (3)

Stoich.:

A3B10C12 (3)

Weight, g/mol:

544.16718

ΔHf, kcal/mol:

-299.89

Dipole, Da:

3.7

IP(EA), eV:

 -9.43(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-bromo-3-ethenyl-6-hydroxy-7-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-1,2,3,3a,5a,6,7,8,8a,8b-decahydro-as-indacene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1C2C(C(=O)CC3C24CC(=O)CC4OC3(C)C)(C56C(O5)CC(C6(C1OC(=O)C)C)C7=COC=C7)C

DOS

IR

Vibrations