Geometry & MOs

Info

ID:	197273
PubChem CID:	78945731
Reduced:	FNOH5C6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	224.036797
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	6.65
IP(EA), eV:	-9.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=C(C(=CC=C2)F)F)C#N

DOS

IR

Vibrations