Geometry & MOs

Info

ID:

221251

PubChem CID:

85261701

Reduced:

NSCl3O6C23H30 (1)

Stoich.:

ABC3D6E23F30 (1)

Weight, g/mol:

554.415522

ΔHf, kcal/mol:

-271.6

Dipole, Da:

6.83

IP(EA), eV:

 -9.97(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-(1-phenylmethoxypropan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol

Drug info:

PubChemData

Smile

CC1(OCC2C(O1)CCC(N2C(=O)OCC(Cl)(Cl)Cl)CCCC=CS(=O)(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations