Geometry & MOs

Info

ID:	66525
PubChem CID:	46504735
Reduced:	BrSN2O4C24H25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	561.0933
ΔH_f, kcal/mol:	-106.12
Dipole, Da:	6.97
IP(EA), eV:	-9.04(-0.78)
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-(4-acetylphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCC(=CC3)C4=CC=CC=C4)Br

DOS

IR

Vibrations