Geometry & MOs

Info

ID:	402998
PubChem CID:	135058229
Reduced:	ClO2F3N6H22C28 (1)
Stoich.:	AB2C3D6E22F28 (1)
Weight, g/mol:	307.041149
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	7.64
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-fluoro-2-(methylcarbamoyl)phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CO)NC2=C(C=NN(C2=O)CC3=CC=C(C=C3)Cl)N4C=C(N=N4)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations