Geometry & MOs

Info

ID:	66526
PubChem CID:	46504736
Reduced:	BrSN3O5C25H28 (1)
Stoich.:	ABC3D5E25F28 (1)
Weight, g/mol:	533.09839
ΔH_f, kcal/mol:	-157.83
Dipole, Da:	11.62
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=C(C=C4CCN(C4=C3)C(=O)C)Br

DOS

IR

Vibrations