Geometry & MOs

Info

ID:	294885
PubChem CID:	117502359
Reduced:	ClN2S2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	315.97465
ΔH_f, kcal/mol:	14.38
Dipole, Da:	5.79
IP(EA), eV:	-8.15(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CN1CC(CC1C2=CC(=C(C(=C2)Cl)SC)SC)CN

DOS

IR

Vibrations