Geometry & MOs

Info

ID:

376899

PubChem CID:

134222931

Reduced:

NO13C18H25 (1)

Stoich.:

AB13C18D25 (1)

Weight, g/mol:

993.499

ΔHf, kcal/mol:

-583.25

Dipole, Da:

3.94

IP(EA), eV:

 -10.38(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[6-[[1,3-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propan-2-yl]amino]-6-oxohexyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

CC(=O)NC(COC(=O)CCC(=O)O)(COC(=O)CCOC=O)COC(=O)CCOC=O

DOS

IR

Vibrations