Geometry & MOs

Info

ID:	35807
PubChem CID:	7980349
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-83.73
Dipole, Da:	5.81
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)COC(=O)COC2=CC=CC=C2)C)SC#N

DOS

IR

Vibrations