Geometry & MOs

Info

ID:	347161
PubChem CID:	127271702
Reduced:	O2F3N3H18C20 (1)
Stoich.:	A2B3C3D18E20 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-143.14
Dipole, Da:	7.04
IP(EA), eV:	-9.97(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)C(=O)N3CCCCC3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations