Geometry & MOs

Info

ID:	274148
PubChem CID:	103807345
Reduced:	BrSN2O3H9C12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	351.98588
ΔH_f, kcal/mol:	-37.5
Dipole, Da:	2.81
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1,3-benzodioxol-5-yl)-3-bromo-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)N)NC(=O)C3=CSC(=C3)Br

DOS

IR

Vibrations