Geometry & MOs

Info

ID:	124277
PubChem CID:	50876941
Reduced:	BrNSO2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	399.94147
ΔH_f, kcal/mol:	-77.12
Dipole, Da:	3.7
IP(EA), eV:	-9.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4,5-dichlorophenyl)sulfonyl-4-ethylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C(C)C)S(=O)(=O)N

DOS

IR

Vibrations