Geometry & MOs

Info

ID:	67220
PubChem CID:	46506084
Reduced:	FSBr2N2O4H19C20 (1)
Stoich.:	ABC2D2E4F19G20 (1)
Weight, g/mol:	567.05942
ΔH_f, kcal/mol:	-161.81
Dipole, Da:	10.23
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=C(C=C(C=C3)Br)F)Br

DOS

IR

Vibrations