Geometry & MOs

Info

ID:	351852
PubChem CID:	127282770
Reduced:	NS2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	275.076219
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	3.66
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylthiomorpholine

Drug info:

PubChemData

Smile

CC1CN(CCS1)S(=O)(=O)C2=CC3=C(COC3)C=C2

DOS

IR

Vibrations