Geometry & MOs

Info

ID:	314684
PubChem CID:	126622714
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	417.097012
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	4.68
IP(EA), eV:	-9.05(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2N3C4=CC=CC=C4C=N3)C(=O)O

DOS

IR

Vibrations