Geometry & MOs

Info

ID:	141974
PubChem CID:	52960336
Reduced:	ON7C23H33 (1)
Stoich.:	AB7C23D33 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	32.17
Dipole, Da:	5.28
IP(EA), eV:	-8.11(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetamido-7aH-1,3-benzothiazol-2-ylidene)-2-morpholin-4-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NC(NC(N2)CN3CCN(CC3)C4=CC=CC=C4OC)N)C

DOS

IR

Vibrations