Geometry & MOs

Info

ID:	355776
PubChem CID:	127290628
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-165.22
Dipole, Da:	5.27
IP(EA), eV:	-8.48(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3CN4CC(OC(C4)C)C

DOS

IR

Vibrations