Geometry & MOs

Info

ID:	18412
PubChem CID:	540665
Reduced:	SN3O3H9C10 (1)
Stoich.:	AB3C3D9E10 (1)
Weight, g/mol:	251.036462
ΔH_f, kcal/mol:	-12.77
Dipole, Da:	7.52
IP(EA), eV:	-9.26(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide

Drug info:

PubChemData

Smile

CC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations