Geometry & MOs

Info

ID:	209061
PubChem CID:	80618968
Reduced:	SF2O2N4C12H12 (1)
Stoich.:	AB2C2D4E12F12 (1)
Weight, g/mol:	313.157246
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	6.13
IP(EA), eV:	-8.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-morpholin-4-ylpropyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)C(=O)NC2=CC=CC=C2OC(F)F

DOS

IR

Vibrations