Geometry & MOs

Info

ID:

307185

PubChem CID:

125275656

Reduced:

ON6H22C23 (1)

Stoich.:

AB6C22D23 (1)

Weight, g/mol:

534.294116

ΔHf, kcal/mol:

135.44

Dipole, Da:

4.15

IP(EA), eV:

 -8.69(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[(Z)-[(8R,9R,10R,11S,13R,14R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=CC=C2)C3=NN4C=NC5=C(C4=N3)CN=N5

DOS

IR

Vibrations