Geometry & MOs

Info

ID:	66666
PubChem CID:	46505034
Reduced:	BrSN2O3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	508.06676
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	9.33
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations