Geometry & MOs

Info

ID:	256113
PubChem CID:	103137158
Reduced:	SN2O3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-112.81
Dipole, Da:	2.63
IP(EA), eV:	-9.17(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations