Geometry & MOs

Info

ID:	314939
PubChem CID:	126623992
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	431.01505
ΔH_f, kcal/mol:	-56.57
Dipole, Da:	8.9
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-bromo-3-(methylsulfonylcarbamoyl)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=NC=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations