Geometry & MOs

Info

ID:	38333
PubChem CID:	8030645
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	-14.09
Dipole, Da:	2.43
IP(EA), eV:	-5.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCC[NH+]2CC3=C(C=CC4=C3OC(=O)C5=CC=CC=C45)OC2

DOS

IR

Vibrations