Geometry & MOs

Info

ID:	358038
PubChem CID:	127295583
Reduced:	FSN2O3C19H27 (1)
Stoich.:	ABC2D3E19F27 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	-170.22
Dipole, Da:	6.2
IP(EA), eV:	-9.49(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

DOS

IR

Vibrations