Geometry & MOs

Info

ID:	79033
PubChem CID:	49746483
Reduced:	ClFSO2N3H13C17 (1)
Stoich.:	ABCD2E3F13G17 (1)
Weight, g/mol:	422.104876
ΔH_f, kcal/mol:	-0.74
Dipole, Da:	3.86
IP(EA), eV:	-9.33(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-oxo-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]butyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C(CN1C(=O)CC2=C(C=CC=C2Cl)F)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations