Geometry & MOs

Info

ID:	274234
PubChem CID:	103807911
Reduced:	OSF3N4H11C12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	-144.08
Dipole, Da:	5.05
IP(EA), eV:	-9.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)C(F)(F)F)N

DOS

IR

Vibrations