Geometry & MOs

Info

ID:	201242
PubChem CID:	79511102
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	277.091435
ΔH_f, kcal/mol:	-23.27
Dipole, Da:	2.36
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-ethyl-4-fluoroanilino)-6-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC(C)CC(CC1=NC2=C(S1)C=C(C=C2)OC)CN

DOS

IR

Vibrations