Geometry & MOs

Info

ID:	313668
PubChem CID:	126616863
Reduced:	ClSF3N4O4H22C26 (1)
Stoich.:	ABC3D4E4F22G26 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-211.72
Dipole, Da:	5.37
IP(EA), eV:	-8.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2H-indazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NNC3=C2C=C(C=C3)C(C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)Cl)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations