Geometry & MOs

Info

ID:	343966
PubChem CID:	127267142
Reduced:	SF2N3O4C13H17 (1)
Stoich.:	AB2C3D4E13F17 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-222.5
Dipole, Da:	5.63
IP(EA), eV:	-9.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-1,3-thiazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NNS(=O)(=O)C2=C(N=CC=C2)OCC(F)F

DOS

IR

Vibrations