Geometry & MOs

Info

ID:	125786
PubChem CID:	50938497
Reduced:	ClN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	287.049038
ΔH_f, kcal/mol:	-84.79
Dipole, Da:	3.16
IP(EA), eV:	-8.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2R,3R,4R)-3-[(3-cyanothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)[C@@H]3[C@@H]4C[C@H]([C@H]3C(=O)O)C=C4

DOS

IR

Vibrations