Geometry & MOs

Info

ID:	133152
PubChem CID:	51485094
Reduced:	SN2O5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	385.098394
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	7.02
IP(EA), eV:	-9.37(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CC(=CC=C3)C#N

DOS

IR

Vibrations