Geometry & MOs

Info

ID:	352281
PubChem CID:	127283365
Reduced:	O2S2N3C17H23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-60.83
Dipole, Da:	2.65
IP(EA), eV:	-8.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-3-yl-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CSCC2=CN=CC=C2)C(=O)N3CCSCC3

DOS

IR

Vibrations