Geometry & MOs

Info

ID:	17521
PubChem CID:	502738
Reduced:	SF3N3O6H12C19 (1)
Stoich.:	AB3C3D6E12F19 (1)
Weight, g/mol:	467.039891
ΔH_f, kcal/mol:	-308.55
Dipole, Da:	4.33
IP(EA), eV:	-9.19(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-4-oxo-2-[3-[3-[3-(trifluoromethoxy)phenyl]prop-2-enoylamino]thiophen-2-yl]-1H-pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)C=CC(=O)NC2=C(SC=C2)C3=NC(=O)C(=C(N3)C(=O)O)O

DOS

IR

Vibrations