Geometry & MOs

Info

ID:	357525
PubChem CID:	127294158
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	4.38
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylthiomorpholine-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4C=N3

DOS

IR

Vibrations