Geometry & MOs

Info

ID:	171609
PubChem CID:	75403846
Reduced:	F2O2N3H17C19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-91.2
Dipole, Da:	7.58
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(2-methoxyethoxy)pyridin-3-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)F)F)C

DOS

IR

Vibrations