Geometry & MOs

Info

ID:	44056
PubChem CID:	10500624
Reduced:	CH (30)
Stoich.:	AB (30)
Weight, g/mol:	390.14357
ΔH_f, kcal/mol:	142.28
Dipole, Da:	0.15
IP(EA), eV:	-7.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,3-diethyl-1-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]oxymethanedithioic acid

Drug info:

PubChemData

Smile

C1CC2CCC1C3=C2C#CC4=C(C#CC5=C(C#C3)C6CCC5CC6)C7CCC4CC7

DOS

IR

Vibrations