Geometry & MOs

Info

ID:	206279
PubChem CID:	80225532
Reduced:	BrN2O2S2C13H15 (1)
Stoich.:	AB2C2D2E13F15 (1)
Weight, g/mol:	359.96018
ΔH_f, kcal/mol:	-36.44
Dipole, Da:	2.88
IP(EA), eV:	-8.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NC(C)C2=CC=C(C=C2)N

DOS

IR

Vibrations