Geometry & MOs

Info

ID:	159896
PubChem CID:	57288866
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	416.122835
ΔH_f, kcal/mol:	20.57
Dipole, Da:	4.84
IP(EA), eV:	-8.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(3-sulfanylideneindol-2-yl)methyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate

Drug info:

PubChemData

Smile

CCOC(=CN1C(CC2=CC=CC=C21)C)C#N

DOS

IR

Vibrations