Geometry & MOs

Info

ID:	32643
PubChem CID:	7847024
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	401.108565
ΔH_f, kcal/mol:	-155.82
Dipole, Da:	1.92
IP(EA), eV:	-9.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-phenylphenyl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations