Geometry & MOs

Info

ID:	277147
PubChem CID:	103827023
Reduced:	BrClON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	332.95898
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	4.3
IP(EA), eV:	-10.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(3-methylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC#N)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations