Geometry & MOs

Info

ID:	37350
PubChem CID:	8020068
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	6.41
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

DOS

IR

Vibrations