Geometry & MOs

Info

ID:	256117
PubChem CID:	103137174
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-37.63
Dipole, Da:	1.72
IP(EA), eV:	-8.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyloxolan-2-yl)methylsulfinyl]aniline

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C2=NC3=C(N2)C=C(C=C3)N

DOS

IR

Vibrations