Geometry & MOs

Info

ID:	277055
PubChem CID:	103826522
Reduced:	BrClNSO3C12H13 (1)
Stoich.:	ABCDE3F12G13 (1)
Weight, g/mol:	367.0087
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	4.06
IP(EA), eV:	-10.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1CNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations