Geometry & MOs

Info

ID:

85513

PubChem CID:

49876280

Reduced:

FNCl2H15C22 (1)

Stoich.:

ABC2D15E22 (1)

Weight, g/mol:

388.029997

ΔHf, kcal/mol:

62.48

Dipole, Da:

3.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.040710

Charge, e:

 0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(Z)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC(=C2)Cl)N=C1C3=CC=CC=C3)C4=CC=CC=C4F.[Cl-]

DOS

IR

Vibrations