Geometry & MOs

Info

ID:	66591
PubChem CID:	46504865
Reduced:	BrSN2O4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	533.062
ΔH_f, kcal/mol:	-141.19
Dipole, Da:	9.75
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-1-(2-phenylethyl)piperazine-2,6-dione

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCOCC3)Br

DOS

IR

Vibrations