Geometry & MOs

Info

ID:	127013
PubChem CID:	50987307
Reduced:	SN4O4H14C17 (1)
Stoich.:	AB4C4D14E17 (1)
Weight, g/mol:	384.089226
ΔH_f, kcal/mol:	4.27
Dipole, Da:	7.82
IP(EA), eV:	-8.78(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2E)-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-benzothiazol-3-yl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations