Geometry & MOs

Info

ID:	359008
PubChem CID:	127297252
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	364.162077
ΔH_f, kcal/mol:	-31.27
Dipole, Da:	5.25
IP(EA), eV:	-8.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluorophenyl)methyl]-N-[(1-methylcyclopentyl)methyl]-5-oxothiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)C2(CCCCC2)CNC(=O)C3=CC=C(C=C3)N4C=NN=C4)C

DOS

IR

Vibrations