Geometry & MOs

Info

ID:

26036

PubChem CID:

636673

Reduced:

O4C27H32 (1)

Stoich.:

A4B27C32 (1)

Weight, g/mol:

472.35526

ΔHf, kcal/mol:

-137.04

Dipole, Da:

4.64

IP(EA), eV:

 -8.66(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,7R,8S,11R,12S,15S,16R,19R,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@]1([C@@H](C[C@@H]3[C@@H]2CC4=C(C3=C)C=CO4)OC(=O)C5=CC=CC=C5)O)(C)C

DOS

IR

Vibrations