Geometry & MOs

Info

ID:	80072
PubChem CID:	49832671
Reduced:	SF3N3O3C26H32 (1)
Stoich.:	AB3C3D3E26F32 (1)
Weight, g/mol:	280.051778
ΔH_f, kcal/mol:	-253.32
Dipole, Da:	2.05
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)N3CCC4=C(C3)C=C(S4)OC(=O)CC

DOS

IR

Vibrations