Geometry & MOs

Info

ID:	435233
PubChem CID:	135185598
Reduced:	SN2O4C19H34 (1)
Stoich.:	AB2C4D19E34 (1)
Weight, g/mol:	690.04437
ΔH_f, kcal/mol:	-214.49
Dipole, Da:	3.15
IP(EA), eV:	-8.34(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-cyclopropyl-4-iodoimidazol-1-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylsulfonylpiperazine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC\2(CCC(/C2=N\[S@](=O)C(C)(C)C)CO)CC1

DOS

IR

Vibrations