Geometry & MOs

Info

ID:

178822

PubChem CID:

76385844

Reduced:

SO12C31H34 (1)

Stoich.:

AB12C31D34 (1)

Weight, g/mol:

466.225219

ΔHf, kcal/mol:

-448.88

Dipole, Da:

3.58

IP(EA), eV:

 -8.7(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

potassium;4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid;chloride

Drug info:

PubChemData

Smile

CC(=O)OC1C2C(COC(O2)C3=CC=CC=C3)OC(C1OC(=O)C)OC4C5COC4C(C(O5)SC6=CC=CC=C6)OC(=O)C

DOS

IR

Vibrations