Geometry & MOs

Info

ID:	67205
PubChem CID:	46506061
Reduced:	BrSN2O4C22H29 (1)
Stoich.:	ABC2D4E22F29 (1)
Weight, g/mol:	479.05144
ΔH_f, kcal/mol:	-161.56
Dipole, Da:	10.65
IP(EA), eV:	-8.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(6-methylpyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations