Geometry & MOs

Info

ID:	67221
PubChem CID:	46506085
Reduced:	BrClSN3O4C24H27 (1)
Stoich.:	ABCD3E4F24G27 (1)
Weight, g/mol:	561.12969
ΔH_f, kcal/mol:	-125.87
Dipole, Da:	8.81
IP(EA), eV:	-8.5(-0.89)
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-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)Br

DOS

IR

Vibrations