Geometry & MOs

Info

ID:	337404
PubChem CID:	127257089
Reduced:	NSO3C6H9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	195.0354
ΔH_f, kcal/mol:	-110.0
Dipole, Da:	6.47
IP(EA), eV:	-9.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyanoethyl 2-thiophen-3-ylacetate

Drug info:

PubChemData

Smile

C1[C@@H](N[C@@H](CS1)C(=O)O)C=O

DOS

IR

Vibrations