Geometry & MOs

Info

ID:	250855
PubChem CID:	103099499
Reduced:	ClN2O2S2C12H13 (1)
Stoich.:	AB2C2D2E12F13 (1)
Weight, g/mol:	330.026348
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	5.02
IP(EA), eV:	-8.58(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-aminophenyl)ethyl]-5-chloro-4-methylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N)NS(=O)(=O)C2=CC(=C(S2)Cl)C

DOS

IR

Vibrations