Geometry & MOs

Info

ID:

51726

PubChem CID:

12014454

Reduced:

NSO3C12H15 (1)

Stoich.:

ABC3D12E15 (1)

Weight, g/mol:

597.38518

ΔHf, kcal/mol:

-108.46

Dipole, Da:

4.28

IP(EA), eV:

 -9.56(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-7-[(4-methylphenyl)sulfonylamino]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCC2=O

DOS

IR

Vibrations