Geometry & MOs

Info

ID:	66571
PubChem CID:	46504821
Reduced:	SBr2N2O3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	431.08783
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	9.1
IP(EA), eV:	-8.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC3=C(C=C(C=C3)C)Br)Br

DOS

IR

Vibrations