Geometry & MOs

Info

ID:	29567
PubChem CID:	835342
Reduced:	ClNSO2F3H9C13 (1)
Stoich.:	ABCD2E3F9G13 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-195.69
Dipole, Da:	7.78
IP(EA), eV:	-9.26(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(4-methylphenoxy)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations