Geometry & MOs

Info

ID:	66536
PubChem CID:	46504756
Reduced:	SBr2N2O4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	537.07332
ΔH_f, kcal/mol:	-124.19
Dipole, Da:	13.19
IP(EA), eV:	-8.96(-1.08)
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-(2-fluorophenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CCS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br

DOS

IR

Vibrations