Geometry & MOs

Info

ID:	314870
PubChem CID:	126623852
Reduced:	ClSO2N4H11C13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	416.9994
ΔH_f, kcal/mol:	24.15
Dipole, Da:	5.15
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-bromo-3-(methylsulfonylcarbamoyl)indazole-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C(=N2)C(=O)N)SC(=N3)Cl

DOS

IR

Vibrations