Geometry & MOs

Info

ID:	355766
PubChem CID:	127290618
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	299.064986
ΔH_f, kcal/mol:	-81.8
Dipole, Da:	8.49
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]thiomorpholine

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=NC(=NO4)C

DOS

IR

Vibrations