Geometry & MOs

Info

ID:	229524
PubChem CID:	87567930
Reduced:	ClFNOH11C15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	417.048684
ΔH_f, kcal/mol:	-22.64
Dipole, Da:	4.46
IP(EA), eV:	-9.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(4-methylphenyl)sulfonylamino]-2,5-dihydro-1,2,5-oxadiazole-3-carbothioyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(=O)C2=CN=C(C=C2)Cl)F

DOS

IR

Vibrations