Geometry & MOs

Info

ID:	174701
PubChem CID:	75806476
Reduced:	FN2O5H13C21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	435.047324
ΔH_f, kcal/mol:	-32.66
Dipole, Da:	24.76
IP(EA), eV:	-8.14(-5.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-carbamoyl-5-oxo-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-7aH-thieno[3,2-b]pyridin-7-olate

Drug info:

PubChemData

Smile

C1C(C2=C(C(=CN2C3=CC(=CC=C3)F)C(=O)[O-])NC1=O)C4=CC=C(C=C4)C(=O)[O-]

DOS

IR

Vibrations