Geometry & MOs

Info

ID:	366099
PubChem CID:	127319460
Reduced:	FSN3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	316.145678
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	7.7
IP(EA), eV:	-9.62(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(2-oxoazocan-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations