Geometry & MOs

Info

ID:	203553
PubChem CID:	79845073
Reduced:	BrN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	354.074171
ΔH_f, kcal/mol:	-8.22
Dipole, Da:	6.31
IP(EA), eV:	-9.42(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(C)(C#N)NC(C)C)[N+](=O)[O-])Br

DOS

IR

Vibrations