Geometry & MOs

Info

ID:

298266

PubChem CID:

117648178

Reduced:

N3O5C20H25 (1)

Stoich.:

A3B5C20D25 (1)

Weight, g/mol:

484.428031

ΔHf, kcal/mol:

-214.7

Dipole, Da:

6.14

IP(EA), eV:

 -9.33(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CC[C@H]([C@H](C1)NC(=O)OC(C)(C)C)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations