Geometry & MOs

Info

ID:	61980
PubChem CID:	26716475
Reduced:	N3O6C19H19 (1)
Stoich.:	A3B6C19D19 (1)
Weight, g/mol:	407.092436
ΔH_f, kcal/mol:	-139.02
Dipole, Da:	2.83
IP(EA), eV:	-9.56(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorobenzoyl)phenyl] 2-(4-acetamidophenyl)acetate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations