Geometry & MOs

Info

ID:	65364
PubChem CID:	29214796
Reduced:	SF2O2N3C17H17 (1)
Stoich.:	AB2C2D3E17F17 (1)
Weight, g/mol:	418.149718
ΔH_f, kcal/mol:	-112.95
Dipole, Da:	3.33
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(butylcarbamothioyl)-2-methylhydrazinyl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CSC[C@@H]1N2CCC3=C(C2)C(=NN3)C4=C5C(=CC=C4)OC(O5)(F)F

DOS

IR

Vibrations