Geometry & MOs

Info

ID:

218892

PubChem CID:

85090123

Reduced:

S2N5O9H17C19 (1)

Stoich.:

A2B5C9D17E19 (1)

Weight, g/mol:

523.141321

ΔHf, kcal/mol:

-247.47

Dipole, Da:

14.88

IP(EA), eV:

 -9.29(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[3-(3H-1,3-benzothiazol-2-ylidene)-6-(carboxymethylamino)-4-oxocyclohexa-1,5-dien-1-yl]oxyethoxy]-4-methylanilino]acetic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CO3)C(=O)O)CSC4=NN=C(N4CC(=O)O)C(=O)O

DOS

IR

Vibrations