Geometry & MOs

Info

ID:

305317

PubChem CID:

124767991

Reduced:

N2O2S2F3C19H21 (1)

Stoich.:

A2B2C2D3E19F21 (1)

Weight, g/mol:

400.26136

ΔHf, kcal/mol:

-222.96

Dipole, Da:

5.28

IP(EA), eV:

 -8.86(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8S,9R,10R,13S,14R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=S)S[C@H]2CC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C

DOS

IR

Vibrations