Geometry & MOs

Info

ID:	23884
PubChem CID:	606993
Reduced:	ClNO3H16C21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	365.081871
ΔH_f, kcal/mol:	-49.55
Dipole, Da:	2.6
IP(EA), eV:	-8.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-oxoethyl] 2-anilinobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations