Geometry & MOs

Info

ID:	67230
PubChem CID:	46506104
Reduced:	BrFSN3O4C24H27 (1)
Stoich.:	ABCD3E4F24G27 (1)
Weight, g/mol:	543.10387
ΔH_f, kcal/mol:	-161.16
Dipole, Da:	8.68
IP(EA), eV:	-8.58(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]propanoylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)Br

DOS

IR

Vibrations