Geometry & MOs

Info

ID:

231282

PubChem CID:

87573354

Reduced:

CZnH2N5 (1)

Stoich.:

ABC2D5 (1)

Weight, g/mol:

786.8021

ΔHf, kcal/mol:

147.81

Dipole, Da:

6.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.773736

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[3-formamido-5-(2-formyloxyethylcarbamoyl)-2,4,6-triiodobenzoyl]amino]methyl]butanedioic acid

Drug info:

PubChemData

Smile

[C-]1(N=NN=N1)N.[Zn]

DOS

IR

Vibrations