Geometry & MOs

Info

ID:	127709
PubChem CID:	51012589
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	694.288183
ΔH_f, kcal/mol:	52.49
Dipole, Da:	6.56
IP(EA), eV:	-8.23(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4S)-1-(benzenesulfonylmethyl)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] 5,5-dimethyl-3-oxo-2-(triphenyl-lambda5-phosphanylidene)hexanoate

Drug info:

PubChemData

Smile

CC[C@H]1[C@H]2CCN([C@@H]1C3=C(C2)NC4=CC=CC=C43)C=O

DOS

IR

Vibrations