Geometry & MOs

Info

ID:	257025
PubChem CID:	103143131
Reduced:	BrNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	273.059028
ΔH_f, kcal/mol:	-124.9
Dipole, Da:	2.73
IP(EA), eV:	-9.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[(5-methyloxolan-2-yl)methylsulfinyl]aniline

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)(=O)C2=C(C=C(C=C2)Br)N

DOS

IR

Vibrations