Geometry & MOs

Info

ID:	313782
PubChem CID:	126617580
Reduced:	FSN4O6C31H35 (1)
Stoich.:	ABC4D6E31F35 (1)
Weight, g/mol:	325.084475
ΔH_f, kcal/mol:	-236.53
Dipole, Da:	9.66
IP(EA), eV:	-9.3(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C(=O)NS(=O)(=O)C3CC3)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCCCCC5=CC=CC=C5)F

DOS

IR

Vibrations