Geometry & MOs

Info

ID:	151686
PubChem CID:	56261127
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	362.108899
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	3.0
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzothiazol-2-yl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OCC(=O)NCCC2=CC=C(C=C2)OCC#C

DOS

IR

Vibrations