Geometry & MOs

Info

ID:	369249
PubChem CID:	127331614
Reduced:	SN3O3C18H31 (1)
Stoich.:	AB3C3D18E31 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-151.96
Dipole, Da:	1.72
IP(EA), eV:	-8.73(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)CCN2CCN(CC2)C(=O)C3CCCO3)C

DOS

IR

Vibrations