Geometry & MOs

Info

ID:	355775
PubChem CID:	127290627
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-63.42
Dipole, Da:	5.88
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[[1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations