Geometry & MOs

Info

ID:	257020
PubChem CID:	103143109
Reduced:	NSO2F3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-228.55
Dipole, Da:	4.08
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyloxolan-2-yl)methylsulfonyl]aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations