Geometry & MOs

Info

ID:	277501
PubChem CID:	103829030
Reduced:	BrFSN2O2C13H18 (1)
Stoich.:	ABCD2E2F13G18 (1)
Weight, g/mol:	306.161329
ΔH_f, kcal/mol:	-112.41
Dipole, Da:	2.96
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3,3-dimethylbutylsulfonyl)piperazine-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C(C1)CN)NS(=O)(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations