Geometry & MOs

Info

ID:

44060

PubChem CID:

10500631

Reduced:

NSCl3O3H10C15 (1)

Stoich.:

ABC3D3E10F15 (1)

Weight, g/mol:

390.376877

ΔHf, kcal/mol:

-68.58

Dipole, Da:

1.09

IP(EA), eV:

-9.28(-1.35)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(E)-7,7,7-trideuterio-6-(trideuteriomethyl)hept-2-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

COC(=O)/C(=C/NC1=CC=C(C=C1)Cl)/C(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations