Geometry & MOs

Info

ID:

446405

PubChem CID:

135274731

Reduced:

N5O9C22H41 (4)

Stoich.:

A5B9C22D41 (4)

Weight, g/mol:

1350.564775

ΔHf, kcal/mol:

-1478.99

Dipole, Da:

10.57

IP(EA), eV:

 -8.77(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[2-[1-[1-[bis[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]-3-[1-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]-4-[2-[bis[2-(formyloxymethylperoxy)ethyl]amino]ethoxy]butan-2-yl]oxyethyl-[2-[2-(carboxymethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CCCOOC(=O)NCCN(CCNC(=O)OOCCC)C(=O)CN1CCN(CCN(CCN(CC1)CC(=O)N(CCNC(=O)OOCCC)CCNC(=O)OOCCC)CC(=O)N(CCNC(=O)OCCOCCNC(=O)OC(C)(C)C)CCNC(=O)OCCOCCNC(=O)OC(C)(C)C)CC(=O)N(CCNC(=O)OCCOCCNC(=O)OC(C)(C)C)CCNC(=O)OCCOCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations