Geometry & MOs

Info

ID:	261558
PubChem CID:	103240233
Reduced:	SN3O4C9H13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	263.0286
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	8.64
IP(EA), eV:	-10.56(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methylsulfonylethylamino)methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)CCNCC1=NC=NC=C1C(=O)O

DOS

IR

Vibrations