Geometry & MOs

Info

ID:	361768
PubChem CID:	127304615
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	389.065712
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	5.15
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CC2=C3C=CC=CC3=NN2

DOS

IR

Vibrations