Geometry & MOs

Info

ID:	127014
PubChem CID:	50987308
Reduced:	SN4O4H16C18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	356.057926
ΔH_f, kcal/mol:	4.98
Dipole, Da:	5.02
IP(EA), eV:	-8.54(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-benzothiazol-3-yl]acetic acid

Drug info:

PubChemData

Smile

C/C(=N\N=C\1/N(C2=CC=CC=C2S1)CC(=O)OC)/C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations