Geometry & MOs

Info

ID:	435678
PubChem CID:	135192143
Reduced:	FSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	322.175522
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	1.85
IP(EA), eV:	-8.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S)-1,2-dimethyl-3-(3-propylphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole

Drug info:

PubChemData

Smile

CCCN1C2=C(C=CC1=O)C=C(C=C2)NS(=O)(=O)CC3=C(C=C(CC3)C)F

DOS

IR

Vibrations