Geometry & MOs

Info

ID:	438342
PubChem CID:	135228075
Reduced:	SN2F3O5C23H29 (1)
Stoich.:	AB2C3D5E23F29 (1)
Weight, g/mol:	281.99253
ΔH_f, kcal/mol:	-300.77
Dipole, Da:	5.82
IP(EA), eV:	-8.4(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopropane-1-sulfinyl bromide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=C(C(=CC(=C2F)F)OC)NS(=O)(=O)C3(CC3)CCCOC(C)(C)O)F

DOS

IR

Vibrations