Geometry & MOs

Info

ID:

328613

PubChem CID:

126725959

Reduced:

N2O4H14C15 (2)

Stoich.:

A2B4C14D15 (2)

Weight, g/mol:

1284.440005

ΔHf, kcal/mol:

-212.53

Dipole, Da:

11.12

IP(EA), eV:

 -8.49(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(formyloxymethyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[carboxymethyl(formyloxymethyl)amino]methyl]pyridin-2-yl]methyl]amino]methyl]-4-[9-[2-[bis(carboxymethyl)amino]-2-oxoethyl]carbazol-3-yl]pyridin-2-yl]methyl-(formyloxymethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C#CC3=CC(=NC(=C3)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)C4=C1C=C(C=C4)N

DOS

IR

Vibrations