Geometry & MOs

Info

ID:	68340
PubChem CID:	46508221
Reduced:	F2N2S2O3H16C20 (1)
Stoich.:	A2B2C2D3E16F20 (1)
Weight, g/mol:	465.99794
ΔH_f, kcal/mol:	-137.4
Dipole, Da:	6.46
IP(EA), eV:	-9.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations