Geometry & MOs

Info

ID:	68425
PubChem CID:	46508386
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	465.99794
ΔH_f, kcal/mol:	-92.02
Dipole, Da:	3.55
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations