Geometry & MOs

Info

ID:

449838

PubChem CID:

135302039

Reduced:

NO5C52H105 (1)

Stoich.:

AB5C52D105 (1)

Weight, g/mol:

753.285085

ΔHf, kcal/mol:

-455.51

Dipole, Da:

2.33

IP(EA), eV:

 -8.71(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetyl]amino]ethyl-(3-sulfanylpropanoyl)amino]ethylamino]-2-oxoethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCCC)OC(CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO)O

DOS

IR

Vibrations