Geometry & MOs

Info

ID:	67269
PubChem CID:	46506170
Reduced:	BrFSN2O4C22H24 (1)
Stoich.:	ABCD2E4F22G24 (1)
Weight, g/mol:	508.06676
ΔH_f, kcal/mol:	-171.92
Dipole, Da:	6.37
IP(EA), eV:	-9.01(-0.84)
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-(4-methoxyphenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N(CC)C3=CC=C(C=C3)F)Br

DOS

IR

Vibrations