Geometry & MOs

Info

ID:	279209
PubChem CID:	103842062
Reduced:	BrClNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	318.94333
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	3.58
IP(EA), eV:	-9.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(C1CCOC1)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations