Geometry & MOs

Info

ID:	386720
PubChem CID:	134982685
Reduced:	SO3C27H34 (1)
Stoich.:	AB3C27D34 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-87.66
Dipole, Da:	3.14
IP(EA), eV:	-8.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4S)-3-ethenyl-7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

Drug info:

PubChemData

Smile

CC(C1CCCCC1)(C2(CCCCC2)OC(=O)C3=CC=CC=C3)S(=O)C4=CC=CC=C4

DOS

IR

Vibrations