Geometry & MOs

Info

ID:	30706
PubChem CID:	841750
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	340.994713
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	3.76
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)OCC

DOS

IR

Vibrations