Geometry & MOs

Info

ID:

220100

PubChem CID:

85165242

Reduced:

O4C19H33 (2)

Stoich.:

A4B19C33 (2)

Weight, g/mol:

650.43351

ΔHf, kcal/mol:

-447.15

Dipole, Da:

3.49

IP(EA), eV:

 -9.66(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CCCCCCC1CCCC(OCO1)C2CCC(O2)C3CCC(O3)C(CCC(CCCCCCCCCC4=CC(OC4=O)C)O)O

DOS

IR

Vibrations