Geometry & MOs

Info

ID:	67234
PubChem CID:	46506112
Reduced:	BrSN2O5C19H27 (1)
Stoich.:	ABC2D5E19F27 (1)
Weight, g/mol:	563.10895
ΔH_f, kcal/mol:	-208.0
Dipole, Da:	12.16
IP(EA), eV:	-9.32(-1.12)
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-methoxyphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCCCOCC)Br

DOS

IR

Vibrations