Geometry & MOs

Info

ID:	201332
PubChem CID:	79526257
Reduced:	ClSN3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	34.19
Dipole, Da:	3.54
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(C1)NC2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations