Geometry & MOs

Info

ID:

127083

PubChem CID:

50990351

Reduced:

O2C27H44 (1)

Stoich.:

A2B27C44 (1)

Weight, g/mol:

432.251189

ΔHf, kcal/mol:

-157.82

Dipole, Da:

4.61

IP(EA), eV:

 -9.56(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5S,8R,8aS)-4-decanoyloxy-5-methyl-7-oxo-8-(3-oxoprop-1-en-2-yl)-4,4a,5,6,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C

DOS

IR

Vibrations