Geometry & MOs

Info

ID:	127556
PubChem CID:	51005943
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	290.06128
ΔH_f, kcal/mol:	-125.37
Dipole, Da:	0.32
IP(EA), eV:	-7.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,7S)-8-(benzenesulfonyl)-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)OC)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations