Geometry & MOs

Info

ID:	261816
PubChem CID:	103252863
Reduced:	BrNSO4C8H16 (1)
Stoich.:	ABCD4E8F16 (1)
Weight, g/mol:	327.0599
ΔH_f, kcal/mol:	-184.67
Dipole, Da:	5.25
IP(EA), eV:	-9.71(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methylsulfonylpropan-2-ylamino)methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NCC(C(=O)OC)Br

DOS

IR

Vibrations