Geometry & MOs

Info

ID:	191853
PubChem CID:	78194804
Reduced:	NF2O5C11H11 (1)
Stoich.:	AB2C5D11E11 (1)
Weight, g/mol:	405.041942
ΔH_f, kcal/mol:	-212.33
Dipole, Da:	5.72
IP(EA), eV:	-10.5(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-benzothiophene-2-carbonylamino)phenyl]-5,6-dioxopyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(OC1C2=CC(=C(C=C2F)F)[N+](=O)[O-])CO)O

DOS

IR

Vibrations