Geometry & MOs

Info

ID:	35926
PubChem CID:	7980509
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	354.103814
ΔH_f, kcal/mol:	-135.67
Dipole, Da:	2.43
IP(EA), eV:	-9.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations