Geometry & MOs

Info

ID:

44637

PubChem CID:

10504569

Reduced:

SiO2C31H38 (1)

Stoich.:

AB2C31D38 (1)

Weight, g/mol:

470.375995

ΔHf, kcal/mol:

-45.17

Dipole, Da:

3.74

IP(EA), eV:

 -8.91(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,7S,9R,12S,17S,19R,22S)-19-hydroxy-7-methoxy-4,8,8,12,18,18,22-heptamethylpentacyclo[12.9.0.03,12.04,9.017,22]tricos-14-en-23-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3CCC[C@H]([C@@]34CCCC(=O)C4=C)C#C

DOS

IR

Vibrations