Geometry & MOs

Info

ID:	277136
PubChem CID:	103826919
Reduced:	BrClNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	334.93824
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	2.37
IP(EA), eV:	-9.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations