Geometry & MOs

Info

ID:	314953
PubChem CID:	126624007
Reduced:	ClFO4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	259.977089
ΔH_f, kcal/mol:	-205.76
Dipole, Da:	7.45
IP(EA), eV:	-9.5(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-carbamoyl-5-chloropyrazolo[3,4-d][1,3]thiazol-1-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1C23CC4CC(C2)CC(C4)C3)Cl)C(=O)C5CCC5C(=O)O)F

DOS

IR

Vibrations