Geometry & MOs

Info

ID:

42995

PubChem CID:

10317655

Reduced:

SN2O4C19H28 (1)

Stoich.:

AB2C4D19E28 (1)

Weight, g/mol:

380.235145

ΔHf, kcal/mol:

-187.61

Dipole, Da:

3.05

IP(EA), eV:

 -9.45(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] cyclopropanecarboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@H]([C@H](CC(=O)OC)S)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N

DOS

IR

Vibrations