Geometry & MOs

Info

ID:

189801

PubChem CID:

77907018

Reduced:

NPO5C45H85 (1)

Stoich.:

ABC5D45E85 (1)

Weight, g/mol:

763.624362

ΔHf, kcal/mol:

-395.09

Dipole, Da:

3.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750628

Charge, e:

 0

Chem-info

IUPAC name:

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]decyl 6-(trimethylazaniumyl)hexyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations