Geometry & MOs

Info

ID:

389051

PubChem CID:

134990994

Reduced:

NO6F9H10C12 (1)

Stoich.:

AB6C9D10E12 (1)

Weight, g/mol:

458.230453

ΔHf, kcal/mol:

-712.61

Dipole, Da:

1.98

IP(EA), eV:

-11.32(-1.21)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (7S,8S,9S,10R,11R,13S,14S,17R)-11-acetyloxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC(=O)C(F)(F)F)NC(=O)C(F)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations