Geometry & MOs

Info

ID:	289673
PubChem CID:	104365391
Reduced:	ClFSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	308.09277
ΔH_f, kcal/mol:	-74.74
Dipole, Da:	6.06
IP(EA), eV:	-8.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-6,6-dimethylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CS(=O)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations