Geometry & MOs

Info

ID:	35833
PubChem CID:	7980383
Reduced:	ClNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	352.088164
ΔH_f, kcal/mol:	-151.6
Dipole, Da:	2.28
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations