Geometry & MOs

Info

ID:

430340

PubChem CID:

135170404

Reduced:

N10O17C34H46 (1)

Stoich.:

A10B17C34D46 (1)

Weight, g/mol:

470.139741

ΔHf, kcal/mol:

-688.1

Dipole, Da:

17.18

IP(EA), eV:

 -9.73(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[5-[(2-azidoacetyl)amino]-1-carboxypentyl]-2,4,6-trioxo-1,3-diazinan-1-yl]pentanedioic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CN=[N+]=[N-])C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations