Geometry & MOs

Info

ID:

179585

PubChem CID:

76505165

Reduced:

SN6O7C29H46 (1)

Stoich.:

AB6C7D29E46 (1)

Weight, g/mol:

566.30551

ΔHf, kcal/mol:

-198.64

Dipole, Da:

5.59

IP(EA), eV:

 -9.61(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,9-difluoro-4'-(1-hydroxybutyl)-10,13-dimethyl-2'-propylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,9'-1,3,6-trioxonane]-3,5',8'-trione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=NOC(=N3)N)SC1)C(=O)O

DOS

IR

Vibrations