Geometry & MOs

Info

ID:

227172

PubChem CID:

87560420

Reduced:

OSN3F6H11C20 (1)

Stoich.:

ABC3D6E11F20 (1)

Weight, g/mol:

1034.695933

ΔHf, kcal/mol:

-246.2

Dipole, Da:

4.16

IP(EA), eV:

 -8.66(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]pentan-3-yl]oxy-4-oxobutanoic acid;N,N-diethylethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=CC3=C(C=C2)C(=NS3)NC4=CC=C(C=C4)OC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations