Geometry & MOs

Info

ID:	261646
PubChem CID:	103243273
Reduced:	SN2O3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	268.03402
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	6.65
IP(EA), eV:	-9.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNCC2=CN=C(S2)C)C(=O)O

DOS

IR

Vibrations