Geometry & MOs

Info

ID:	64963
PubChem CID:	29204260
Reduced:	NOH9C10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	344.094312
ΔH_f, kcal/mol:	4.12
Dipole, Da:	4.68
IP(EA), eV:	-8.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations