Geometry & MOs

Info

ID:	274145
PubChem CID:	103807330
Reduced:	ClIN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	367.95633
ΔH_f, kcal/mol:	-44.31
Dipole, Da:	3.9
IP(EA), eV:	-8.39(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1,3-benzodioxol-5-yl)-2-bromo-4-chlorobenzamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)N)NC(=O)C3=C(C=CC(=C3)Cl)I

DOS

IR

Vibrations