Geometry & MOs

Info

ID:

222795

PubChem CID:

85332523

Reduced:

N4O5C30H36 (1)

Stoich.:

A4B5C30D36 (1)

Weight, g/mol:

532.376389

ΔHf, kcal/mol:

-146.41

Dipole, Da:

2.17

IP(EA), eV:

 -8.65(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-1'-(4-methylpentyl)spiro[2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-17,2'-cyclopropane]-1'-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C3(CCCCC3)NC(=O)C4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations