Geometry & MOs

Info

ID:	351874
PubChem CID:	127282792
Reduced:	N2S2O3C10H16 (1)
Stoich.:	A2B2C3D10E16 (1)
Weight, g/mol:	299.064986
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	2.7
IP(EA), eV:	-8.77(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylthiomorpholine

Drug info:

PubChemData

Smile

CC1CN(CCS1)S(=O)(=O)C2=C(ON=C2C)C

DOS

IR

Vibrations