Geometry & MOs

Info

ID:	65335
PubChem CID:	29214701
Reduced:	SN8C17H28 (1)
Stoich.:	AB8C17D28 (1)
Weight, g/mol:	400.174454
ΔH_f, kcal/mol:	103.42
Dipole, Da:	7.79
IP(EA), eV:	-8.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(butylcarbamothioyl)-2-methylhydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SC3CCCCC3

DOS

IR

Vibrations