Geometry & MOs

Info

ID:	37349
PubChem CID:	8020066
Reduced:	Cl2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-126.67
Dipole, Da:	5.06
IP(EA), eV:	-9.11(-0.81)
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] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2CCCC2

DOS

IR

Vibrations