Geometry & MOs

Info

ID:	66513
PubChem CID:	46504713
Reduced:	BrSN2O4C21H27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	504.07184
ΔH_f, kcal/mol:	-155.99
Dipole, Da:	10.07
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCCC3=CCCCC3)Br

DOS

IR

Vibrations