Geometry & MOs

Info

ID:

177490

PubChem CID:

76193156

Reduced:

OS2N5H15C18 (1)

Stoich.:

AB2C5D15E18 (1)

Weight, g/mol:

504.345089

ΔHf, kcal/mol:

104.61

Dipole, Da:

5.92

IP(EA), eV:

 -8.41(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,11-dihydroxy-17-[1-hydroxy-1-(2,2,3-trimethyl-3H-furan-5-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

Drug info:

PubChemData

Smile

C1C(=O)N(C2=CC=CC=C2S1)CC3=NNC(=S)N3N=CC4=CC=CC=C4

DOS

IR

Vibrations