Geometry & MOs

Info

ID:	66608
PubChem CID:	46504894
Reduced:	BrSN2O5C16H23 (1)
Stoich.:	ABC2D5E16F23 (1)
Weight, g/mol:	483.11913
ΔH_f, kcal/mol:	-183.08
Dipole, Da:	8.81
IP(EA), eV:	-8.97(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-(4-cyclohexylpiperazin-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)N(C)CC(OC)OC)Br

DOS

IR

Vibrations