Geometry & MOs

Info

ID:	363396
PubChem CID:	127310933
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	325.182398
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	6.34
IP(EA), eV:	-8.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CC2=C3C=CC=CC3=NN2)N4CCSCC4

DOS

IR

Vibrations