Geometry & MOs

Info

ID:	277479
PubChem CID:	103828869
Reduced:	BrFSN2O2C12H16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	2.81
IP(EA), eV:	-9.18(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[3-(ethylamino)propyl]-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CNCCC1CNS(=O)(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations