Geometry & MOs

Info

ID:	36955
PubChem CID:	8015342
Reduced:	Cl2N2O4C11H12 (1)
Stoich.:	A2B2C4D11E12 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-153.52
Dipole, Da:	2.63
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-methoxyacetate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)COC

DOS

IR

Vibrations