Geometry & MOs

Info

ID:

149176

PubChem CID:

53788848

Reduced:

SN4O4C33H42 (1)

Stoich.:

AB4C4D33E42 (1)

Weight, g/mol:

288.20893

ΔHf, kcal/mol:

-140.48

Dipole, Da:

3.06

IP(EA), eV:

 -8.67(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,13S,14S)-13-(2-hydroxyethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C(NC3=C2C=C(C=C3)C(=O)N4CCC[C@H]4CNC5=C(C=CC=C5C)C)(C)C)O

DOS

IR

Vibrations