Geometry & MOs

Info

ID:	67239
PubChem CID:	46506121
Reduced:	BrSN2O6C21H31 (1)
Stoich.:	ABC2D6E21F31 (1)
Weight, g/mol:	500.13444
ΔH_f, kcal/mol:	-259.29
Dipole, Da:	8.11
IP(EA), eV:	-9.15(-1.03)
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-(2-ethylhexyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCCC(OCC)OCC)Br

DOS

IR

Vibrations