Geometry & MOs

Info

ID:	67224
PubChem CID:	46506092
Reduced:	BrSN2O6C18H25 (1)
Stoich.:	ABC2D6E18F25 (1)
Weight, g/mol:	547.11404
ΔH_f, kcal/mol:	-235.28
Dipole, Da:	7.28
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations