Geometry & MOs

Info

ID:	206278
PubChem CID:	80225531
Reduced:	BrN2O2S2C12H13 (1)
Stoich.:	AB2C2D2E12F13 (1)
Weight, g/mol:	373.97583
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	5.52
IP(EA), eV:	-8.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)NS(=O)(=O)C2=C(SC(=C2)Br)C

DOS

IR

Vibrations