Geometry & MOs

Info

ID:

186039

PubChem CID:

77382789

Reduced:

NO4C22H33 (1)

Stoich.:

AB4C22D33 (1)

Weight, g/mol:

850.559908

ΔHf, kcal/mol:

-202.49

Dipole, Da:

4.72

IP(EA), eV:

 -9.37(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[[1-(10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl)-1,1-dihydroxy-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilyl]-1,1-dihydroxy-2-methylpropyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N.C1CC(C2C1C3CCC4=CC(=O)CCC4=C3CC2)O

DOS

IR

Vibrations