Geometry & MOs

Info

ID:

83308

PubChem CID:

49857433

Reduced:

N3O5H23C30 (1)

Stoich.:

A3B5C23D30 (1)

Weight, g/mol:

512.063583

ΔHf, kcal/mol:

-49.83

Dipole, Da:

8.48

IP(EA), eV:

 -9.25(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 3-[[(2Z)-2-(5,7-difluoro-6-oxo-1,3-benzothiazol-2-ylidene)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NN=C(C=C3)C(=O)OC)C4=CC=C(C=C4)C5=CC=CC=C5)/O

DOS

IR

Vibrations