Geometry & MOs

Info

ID:

215730

PubChem CID:

85085159

Reduced:

SNa3N4O14C66H117 (1)

Stoich.:

AB3C4D14E66F117 (1)

Weight, g/mol:

1224.852176

ΔHf, kcal/mol:

-607.08

Dipole, Da:

141.06

IP(EA), eV:

 -4.99(-3.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-carboxy-2-[[2-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]acetyl]amino]butanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NCC(=O)NC(CCC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations