Geometry & MOs

Info

ID:

187868

PubChem CID:

77635719

Reduced:

ClSO3N4C26H29 (1)

Stoich.:

ABC3D4E26F29 (1)

Weight, g/mol:

476.277404

ΔHf, kcal/mol:

-49.96

Dipole, Da:

9.82

IP(EA), eV:

 -8.76(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-1-yl] hexanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3CC(C=C4)OC5CCN(CC5)C)C(=O)N

DOS

IR

Vibrations