Geometry & MOs

Info

ID:	65388
PubChem CID:	29214842
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	7.19
IP(EA), eV:	-9.08(-0.14)
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]-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)NCCC2=NN=C3N2CCN(CC3)CC4=CC=CC=C4C5=CC=CO5

DOS

IR

Vibrations