Geometry & MOs

Info

ID:

189802

PubChem CID:

77907019

Reduced:

NPO5C46H86 (1)

Stoich.:

ABC5D46E86 (1)

Weight, g/mol:

764.632187

ΔHf, kcal/mol:

-415.93

Dipole, Da:

12.39

IP(EA), eV:

 -9.02(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

6-[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]oxyhexyl-trimethylazanium

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCCCCCCCCCOP(=O)([O-])OCCCCCC[N+](C)(C)C)C)C

DOS

IR

Vibrations