Geometry & MOs

Info

ID:	28105
PubChem CID:	825583
Reduced:	BrOSN2C9H11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	326.981361
ΔH_f, kcal/mol:	-10.57
Dipole, Da:	2.35
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=C2C[C@H](OC2=NC(=N1)SC)CBr

DOS

IR

Vibrations