Geometry & MOs

Info

ID:	421721
PubChem CID:	135116500
Reduced:	FO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-74.85
Dipole, Da:	4.46
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-6-yl-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methanone

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)CC2=C(C=CC=C2F)OC

DOS

IR

Vibrations