Geometry & MOs

Info

ID:	175972
PubChem CID:	75976932
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	448.120526
ΔH_f, kcal/mol:	-3.72
Dipole, Da:	3.29
IP(EA), eV:	-9.13(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl] 2-pyridin-3-yloxypyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C1CC1)C(=O)C2CCCN2CC3=CC=CC=C3

DOS

IR

Vibrations