Geometry & MOs

Info

ID:	268142
PubChem CID:	103598042
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	335.109233
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	2.08
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2NC(=O)C=CC3=CC=CC=N3

DOS

IR

Vibrations