Geometry & MOs

Info

ID:	39520
PubChem CID:	8141139
Reduced:	BrSN3O3H10C16 (1)
Stoich.:	ABC3D3E10F16 (1)
Weight, g/mol:	383.057592
ΔH_f, kcal/mol:	-0.94
Dipole, Da:	3.6
IP(EA), eV:	-8.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC(=CN=C4)Br

DOS

IR

Vibrations