Geometry & MOs

Info

ID:	201049
PubChem CID:	79482075
Reduced:	OSN3C14H27 (1)
Stoich.:	ABC3D14E27 (1)
Weight, g/mol:	399.00707
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	2.93
IP(EA), eV:	-8.35(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methylbutyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(C)CN(CC)C1=NC(=CS1)CNCCOC

DOS

IR

Vibrations