Geometry & MOs

Info

ID:	68339
PubChem CID:	46508220
Reduced:	N2S2O3H20C24 (1)
Stoich.:	A2B2C3D20E24 (1)
Weight, g/mol:	434.057041
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	6.26
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-difluoroanilino)-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=CC=CC4=CC=CC=C43

DOS

IR

Vibrations