Geometry & MOs

Info

ID:	66695
PubChem CID:	46505079
Reduced:	BrSN2O4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	503.08783
ΔH_f, kcal/mol:	-95.5
Dipole, Da:	7.76
IP(EA), eV:	-8.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)OCC)S(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations