Geometry & MOs

Info

ID:	441298
PubChem CID:	135234000
Reduced:	O2S2N8C23H24 (1)
Stoich.:	A2B2C8D23E24 (1)
Weight, g/mol:	308.22862
ΔH_f, kcal/mol:	61.59
Dipole, Da:	6.78
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-methyl-1-(3-methylbut-1-en-2-ylamino)but-1-enyl] N-methylcyclohexanecarboximidothioate

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1C2=NN=C(S2)NC(CC3=CC=CC=N3)O)C4=NN=C(S4)NC(=O)CC5=CC=CC=N5

DOS

IR

Vibrations