Geometry & MOs

Info

ID:

84889

PubChem CID:

49870569

Reduced:

N2O10C65H110 (1)

Stoich.:

A2B10C65D110 (1)

Weight, g/mol:

1064.800398

ΔHf, kcal/mol:

-433.6

Dipole, Da:

3.81

IP(EA), eV:

 -9.41(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[bis(carboxymethyl)amino]-6-[1,3-bis(pentacosa-10,12-diynoxy)propan-2-yloxycarbonylamino]hexanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCCOCC(COCCCCCCCCCC#CC#CCCCCCCCCCCCC)OCC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O

DOS

IR

Vibrations