Geometry & MOs

Info

ID:	32639
PubChem CID:	7847018
Reduced:	SN2F3O3H15C19 (1)
Stoich.:	AB2C3D3E15F19 (1)
Weight, g/mol:	386.075885
ΔH_f, kcal/mol:	-227.31
Dipole, Da:	6.26
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations