Geometry & MOs

Info

ID:	225108
PubChem CID:	85741780
Reduced:	BrHNO2Cl3C4 (1)
Stoich.:	ABCD2E3F4 (1)
Weight, g/mol:	233.087435
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	4.23
IP(EA), eV:	-11.75(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-thiomorpholin-4-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C(#N)C(C(=O)O)(C(Cl)(Cl)Cl)Br

DOS

IR

Vibrations