Geometry & MOs

Info

ID:	66533
PubChem CID:	46504750
Reduced:	BrSN2O5C18H25 (1)
Stoich.:	ABC2D5E18F25 (1)
Weight, g/mol:	549.0933
ΔH_f, kcal/mol:	-200.74
Dipole, Da:	7.75
IP(EA), eV:	-9.02(-0.84)
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-methoxyphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOCCCNC(=O)CCS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C)Br

DOS

IR

Vibrations