Geometry & MOs

Info

ID:	35609
PubChem CID:	7980096
Reduced:	NO2H8C12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	341.081871
ΔH_f, kcal/mol:	-44.99
Dipole, Da:	7.5
IP(EA), eV:	-9.4(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations