Geometry & MOs

Info

ID:

190452

PubChem CID:

78008053

Reduced:

O9C36H58 (1)

Stoich.:

A9B36C58 (1)

Weight, g/mol:

502.365825

ΔHf, kcal/mol:

-443.99

Dipole, Da:

5.7

IP(EA), eV:

 -9.0(0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(1,2-dihydroxy-2-methylpropyl)-4,6,12,17,17,22-hexamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-ene-11,18-diol

Drug info:

PubChemData

Smile

CC1CC(OC2=C1C3(CCC45CC46CCC(C(C6CCC5C3(C2O)C)(C)C)OC7C(C(C(CO7)OC)O)O)C)C(C(C)(C)O)O

DOS

IR

Vibrations