Geometry & MOs

Info

ID:	65394
PubChem CID:	29214849
Reduced:	O2S2N10C21H26 (1)
Stoich.:	A2B2C10D21E26 (1)
Weight, g/mol:	396.165369
ΔH_f, kcal/mol:	85.58
Dipole, Da:	12.28
IP(EA), eV:	-8.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(butylcarbamothioyl)-2-methylhydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations