Geometry & MOs

Info

ID:

398909

PubChem CID:

135036200

Reduced:

NO2H29C37 (1)

Stoich.:

AB2C29D37 (1)

Weight, g/mol:

588.363487

ΔHf, kcal/mol:

59.03

Dipole, Da:

2.98

IP(EA), eV:

 -8.59(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5S,8R,9S,10S,13S,16R,17S)-3-[tert-butyl(diphenyl)silyl]oxy-17-[(1S)-1-hydroxyethyl]-13-(hydroxymethyl)-10-methyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-ol

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=CC=CC2=C1C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations