Geometry & MOs

Info

ID:	404298
PubChem CID:	135065768
Reduced:	ClNOBr2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	315.030762
ΔH_f, kcal/mol:	19.58
Dipole, Da:	1.06
IP(EA), eV:	-9.79(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4,4,4-trifluorobutyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1[C@@](OC(=N1)C2=CC=C(C=C2)Br)(CCl)C3=CC=C(C=C3)Br

DOS

IR

Vibrations