Geometry & MOs

Info

ID:	369291
PubChem CID:	127332279
Reduced:	N2S2O3C16H22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	275.076219
ΔH_f, kcal/mol:	-123.35
Dipole, Da:	3.42
IP(EA), eV:	-8.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-(1-methylimidazol-4-yl)sulfonylthiomorpholine

Drug info:

PubChemData

Smile

CC1C(SCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3)C

DOS

IR

Vibrations