Geometry & MOs

Info

ID:

215729

PubChem CID:

85085158

Reduced:

S2O15N16C55H100 (1)

Stoich.:

A2B15C16D55E100 (1)

Weight, g/mol:

1290.798008

ΔHf, kcal/mol:

-769.7

Dipole, Da:

6.08

IP(EA), eV:

 -9.16(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;2-[[4-carboxylato-2-[[2-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]acetyl]amino]butanoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CS)N

DOS

IR

Vibrations