Geometry & MOs

Info

ID:

185178

PubChem CID:

77266105

Reduced:

Cl2O2F3N3H10C18 (1)

Stoich.:

A2B2C3D3E10F18 (1)

Weight, g/mol:

880.643146

ΔHf, kcal/mol:

-135.31

Dipole, Da:

7.51

IP(EA), eV:

 -9.24(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[3-carboxy-2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=C(N2C1=NC(=C2Cl)C(F)(F)F)C3=CC4=C(C=C3)C(=O)N=CC4Cl

DOS

IR

Vibrations