Geometry & MOs

Info

ID:	35721
PubChem CID:	7980243
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	386.093643
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	3.62
IP(EA), eV:	-8.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations