Geometry & MOs

Info

ID:

11894

PubChem CID:

122788

Reduced:

NPO4C34H65 (1)

Stoich.:

ABC4D34E65 (1)

Weight, g/mol:

582.465122

ΔHf, kcal/mol:

-319.74

Dipole, Da:

3.66

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751337

Charge, e:

 1

Chem-info

IUPAC name:

2-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OP(=O)(O)OCC[N+](C)(C)C)C)C)C(C)C

DOS

IR

Vibrations