Geometry & MOs

Info

ID:	174560
PubChem CID:	75785012
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	339.018801
ΔH_f, kcal/mol:	-115.37
Dipole, Da:	7.92
IP(EA), eV:	-9.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-cyano-3-(5-nitrofuran-2-yl)prop-2-enimidate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC2C(C1)C(=O)CC(N2)CSC3=NN=C(N3C)COC4=CC=CC=C4

DOS

IR

Vibrations