Geometry & MOs

Info

ID:	261926
PubChem CID:	103259450
Reduced:	BrNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	360.97721
ΔH_f, kcal/mol:	-46.83
Dipole, Da:	1.81
IP(EA), eV:	-9.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-bromonaphthalen-2-yl)amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C\CNCC1=C(C=CS1)Br)/C(=O)OC

DOS

IR

Vibrations