Geometry & MOs

Info

ID:	314919
PubChem CID:	126623967
Reduced:	FSN2O6C20H23 (1)
Stoich.:	ABC2D6E20F23 (1)
Weight, g/mol:	309.9953
ΔH_f, kcal/mol:	-294.66
Dipole, Da:	7.15
IP(EA), eV:	-8.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-3-(2-oxopropyl)indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=CC3=C(C=C2)C(=CC=C3)S(=O)(=O)O)F

DOS

IR

Vibrations