Geometry & MOs

Info

ID:

189800

PubChem CID:

77907000

Reduced:

NO3C6H9 (2)

Stoich.:

AB3C6D9 (2)

Weight, g/mol:

750.616537

ΔHf, kcal/mol:

-259.85

Dipole, Da:

4.68

IP(EA), eV:

 -9.99(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5-[10-[[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]decoxy-hydroxyphosphoryl]oxypentyl-trimethylazanium

Drug info:

PubChemData

Smile

CC1(C(C(OC1(C=C)N2CCC(=O)NC2=O)CO)O)O

DOS

IR

Vibrations