Geometry & MOs

Info

ID:	67226
PubChem CID:	46506098
Reduced:	BrSN2O4C26H31 (1)
Stoich.:	ABC2D4E26F31 (1)
Weight, g/mol:	506.08749
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	6.09
IP(EA), eV:	-8.92(-0.82)
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-ethyl-6-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4)Br

DOS

IR

Vibrations