Geometry & MOs

Info

ID:	34156
PubChem CID:	7890108
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	374.963204
ΔH_f, kcal/mol:	-59.57
Dipole, Da:	5.47
IP(EA), eV:	-9.44(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

DOS

IR

Vibrations