Geometry & MOs

Info

ID:	360961
PubChem CID:	127301792
Reduced:	FSO3N4C15H17 (1)
Stoich.:	ABC3D4E15F17 (1)
Weight, g/mol:	381.081698
ΔH_f, kcal/mol:	-98.94
Dipole, Da:	8.48
IP(EA), eV:	-9.93(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations