Geometry & MOs

Info

ID:	209450
PubChem CID:	80674886
Reduced:	BrNSF2O2C12H14 (1)
Stoich.:	ABCD2E2F12G14 (1)
Weight, g/mol:	368.00057
ΔH_f, kcal/mol:	-149.25
Dipole, Da:	5.55
IP(EA), eV:	-9.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethyl)-4-(2,5-difluorophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CN(CC1CC(C1)Br)S(=O)(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations