Geometry & MOs

Info

ID:

59790

PubChem CID:

24897288

Reduced:

O2S2F3N3H16C23 (1)

Stoich.:

A2B2C3D3E16F23 (1)

Weight, g/mol:

947.393115

ΔHf, kcal/mol:

-128.43

Dipole, Da:

4.36

IP(EA), eV:

 -8.99(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[bis[2-[carboxymethyl-[2-oxo-2-[2-[[2-[(E)-[(3R,4R)-2,3,4,5,6-pentahydroxyhexylidene]amino]oxyacetyl]amino]ethylamino]ethyl]amino]ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)/C=C/C2=CSC(=C2)/C=C/3\C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations