Geometry & MOs

Info

ID:	277054
PubChem CID:	103826517
Reduced:	BrClNSO3C12H13 (1)
Stoich.:	ABCDE3F12G13 (1)
Weight, g/mol:	364.9488
ΔH_f, kcal/mol:	-122.34
Dipole, Da:	6.44
IP(EA), eV:	-9.82(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations