Geometry & MOs

Info

ID:

179386

PubChem CID:

76475868

Reduced:

OC22H36 (1)

Stoich.:

AB22C36 (1)

Weight, g/mol:

723.373406

ΔHf, kcal/mol:

-104.37

Dipole, Da:

3.96

IP(EA), eV:

 -9.74(0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-[2-[2-[[2-(cyclobutanecarbonylamino)-6-(phenylmethoxycarbonylamino)hexanoyl]amino]hexyl-methoxyphosphoryl]oxypropanoyl]-2-methylpyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCC2C1(CCC3C2CC(C4C3(CCC(=O)C4)C)C)C

DOS

IR

Vibrations