Geometry & MOs

Info

ID:	361784
PubChem CID:	127304631
Reduced:	NS2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	354.044106
ΔH_f, kcal/mol:	-93.39
Dipole, Da:	5.38
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CC2=CSC3=CC=CC=C32

DOS

IR

Vibrations