Geometry & MOs

Info

ID:	25061
PubChem CID:	618279
Reduced:	SN3O4H7C12 (1)
Stoich.:	AB3C4D7E12 (1)
Weight, g/mol:	289.015727
ΔH_f, kcal/mol:	19.17
Dipole, Da:	1.61
IP(EA), eV:	-9.38(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations