Geometry & MOs

Info

ID:	358033
PubChem CID:	127295578
Reduced:	FSN3O3C17H24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	372.208279
ΔH_f, kcal/mol:	-150.5
Dipole, Da:	5.54
IP(EA), eV:	-9.61(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(oxan-2-ylmethylsulfonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations