Geometry & MOs

Info

ID:

180440

PubChem CID:

76632874

Reduced:

NSO12C30H33 (1)

Stoich.:

ABC12D30E33 (1)

Weight, g/mol:

370.250795

ΔHf, kcal/mol:

-461.51

Dipole, Da:

6.84

IP(EA), eV:

 -8.82(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13-methyl-16-methylidene-3-oxo-2-propyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CCOC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)(C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)OC(=O)C

DOS

IR

Vibrations