Geometry & MOs

Info

ID:

219303

PubChem CID:

85098614

Reduced:

O8H17C19 (2)

Stoich.:

A8B17C19 (2)

Weight, g/mol:

749.593139

ΔHf, kcal/mol:

-563.41

Dipole, Da:

7.2

IP(EA), eV:

 -8.46(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N'-[2-[[7,12-bis[2-(1-aminoethenylamino)ethoxy]-17-[5-[benzyl(methyl)amino]pentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethyl]ethene-1,1-diamine

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC3C4C(C2C(=O)C3(C5=CC(=C(C=C45)O)O)O)C(=O)OC(CC6=CC(=C(C=C6)O)O)C(=O)OC

DOS

IR

Vibrations