Geometry & MOs

Info

ID:	66601
PubChem CID:	46504885
Reduced:	BrFSO3N4C24H30 (1)
Stoich.:	ABCD3E4F24G30 (1)
Weight, g/mol:	455.991
ΔH_f, kcal/mol:	-118.53
Dipole, Da:	7.36
IP(EA), eV:	-8.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(4-chlorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F)Br

DOS

IR

Vibrations