Geometry & MOs

Info

ID:	360959
PubChem CID:	127301790
Reduced:	S2N3O4C14H17 (1)
Stoich.:	A2B3C4D14E17 (1)
Weight, g/mol:	355.066048
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	6.91
IP(EA), eV:	-9.23(-0.86)
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-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CCC2=NC(=NO2)C3=CSC=C3

DOS

IR

Vibrations