Geometry & MOs

Info

ID:	65390
PubChem CID:	29214844
Reduced:	FOSN10C20H23 (1)
Stoich.:	ABCD10E20F23 (1)
Weight, g/mol:	446.154325
ΔH_f, kcal/mol:	111.39
Dipole, Da:	8.92
IP(EA), eV:	-8.66(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-3-[2-(butylcarbamothioyl)-2-methylhydrazinyl]-3-oxo-1-phenylpropyl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC3=NN=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations