Geometry & MOs

Info

ID:	206995
PubChem CID:	80329815
Reduced:	NSO3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	271.087829
ΔH_f, kcal/mol:	-100.83
Dipole, Da:	5.18
IP(EA), eV:	-9.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(SC=C1C(=O)O)CNCCO

DOS

IR

Vibrations