Geometry & MOs

Info

ID:	262052
PubChem CID:	103267413
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	242.072513
ΔH_f, kcal/mol:	-88.75
Dipole, Da:	7.85
IP(EA), eV:	-8.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(4-amino-4-oxobutan-2-yl)amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCSCC(C)NCC(=C)C(=O)O

DOS

IR

Vibrations