Geometry & MOs

Info

ID:	349878
PubChem CID:	127276484
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-123.74
Dipole, Da:	3.46
IP(EA), eV:	-8.77(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCC1C(=O)N2CCSCC2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations