Geometry & MOs

Info

ID:	360958
PubChem CID:	127301789
Reduced:	ClN2S2O3C16H17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	355.066048
ΔH_f, kcal/mol:	-89.19
Dipole, Da:	6.73
IP(EA), eV:	-9.4(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations