Geometry & MOs

Info

ID:	85709
PubChem CID:	49878420
Reduced:	BrSF3N3O4C24H25 (1)
Stoich.:	ABC3D3E4F24G25 (1)
Weight, g/mol:	602.15624
ΔH_f, kcal/mol:	-284.59
Dipole, Da:	12.15
IP(EA), eV:	-9.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-5-bromo-2,3-dihydroindol-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C(=CC(=C2)Br)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations