Geometry & MOs

Info

ID:

219165

PubChem CID:

85091162

Reduced:

NPO12C30H52 (1)

Stoich.:

ABC12D30E52 (1)

Weight, g/mol:

649.462579

ΔHf, kcal/mol:

-601.36

Dipole, Da:

12.84

IP(EA), eV:

 -9.09(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;dodecanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC(COC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations