Geometry & MOs

Info

ID:	59996
PubChem CID:	26653370
Reduced:	O2F3N5C24H33 (1)
Stoich.:	A2B3C5D24E33 (1)
Weight, g/mol:	447.119895
ΔH_f, kcal/mol:	-140.8
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.292302
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(E)-3-[2-(cyclopentylcarbamothioyl)hydrazinyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1C[NH+](CCN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

DOS

IR

Vibrations