Geometry & MOs

Info

ID:	127543
PubChem CID:	51005727
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	274.102751
ΔH_f, kcal/mol:	-110.9
Dipole, Da:	2.28
IP(EA), eV:	-9.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2R,4R)-2-phenylsulfanylbicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CN1C[C@@H]2C[C@H]1C=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations