Geometry & MOs

Info

ID:	60364
PubChem CID:	26683922
Reduced:	BrON3H22C23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	409.108086
ΔH_f, kcal/mol:	62.37
Dipole, Da:	3.3
IP(EA), eV:	-8.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 2-(2,3-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Br)NCC2=CC=C(C=C2)OCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations