Geometry & MOs

Info

ID:	206271
PubChem CID:	80225272
Reduced:	BrN2O2S2C14H17 (1)
Stoich.:	AB2C2D2E14F17 (1)
Weight, g/mol:	331.07574
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	3.88
IP(EA), eV:	-8.33(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-2-chlorophenyl)sulfonyl-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CCCN(C1=CC=CC=C1N)S(=O)(=O)C2=C(SC(=C2)Br)C

DOS

IR

Vibrations