Geometry & MOs

Info

ID:	33734
PubChem CID:	7887819
Reduced:	NOF2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	362.046963
ΔH_f, kcal/mol:	-144.62
Dipole, Da:	2.57
IP(EA), eV:	-9.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations