Geometry & MOs

Info

ID:	66562
PubChem CID:	46504806
Reduced:	BrSN2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	477.07218
ΔH_f, kcal/mol:	-163.6
Dipole, Da:	10.09
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC3=CC=CC=C3C(=O)OC)Br

DOS

IR

Vibrations