Geometry & MOs

Info

ID:	242897
PubChem CID:	99213686
Reduced:	BrSN3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	416.0484
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	5.8
IP(EA), eV:	-9.26(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-N-methyl-3-(6-nitroindazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)N(C)C(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations