Geometry & MOs

Info

ID:	165248
PubChem CID:	74521374
Reduced:	SF3N3O3C21H22 (1)
Stoich.:	AB3C3D3E21F22 (1)
Weight, g/mol:	335.106553
ΔH_f, kcal/mol:	-214.22
Dipole, Da:	4.51
IP(EA), eV:	-9.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations