Geometry & MOs

Info

ID:	35704
PubChem CID:	7980222
Reduced:	ClNO2H7C8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	385.131408
ΔH_f, kcal/mol:	-121.38
Dipole, Da:	3.35
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations