Geometry & MOs

Info

ID:	253642
PubChem CID:	103119714
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	327.04444
ΔH_f, kcal/mol:	3.53
Dipole, Da:	5.53
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-1,1-dioxothiolan-3-yl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(C1)Br)NC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations