Geometry & MOs

Info

ID:	83936
PubChem CID:	49862650
Reduced:	ClSN3O3C18H24 (1)
Stoich.:	ABC3D3E18F24 (1)
Weight, g/mol:	289.06987
ΔH_f, kcal/mol:	-85.1
Dipole, Da:	4.79
IP(EA), eV:	-9.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-methoxyphenyl)methylideneamino]-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)N2CC3=CN=CN3C(S2(=O)=O)CC(C)(C)OC

DOS

IR

Vibrations