Geometry & MOs

Info

ID:	68439
PubChem CID:	46508408
Reduced:	N2F3O5H19C22 (1)
Stoich.:	A2B3C5D19E22 (1)
Weight, g/mol:	430.082113
ΔH_f, kcal/mol:	-299.91
Dipole, Da:	4.82
IP(EA), eV:	-9.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations