Geometry & MOs

Info

ID:	66542
PubChem CID:	46504762
Reduced:	BrSN3O4C24H30 (1)
Stoich.:	ABC3D4E24F30 (1)
Weight, g/mol:	456.07184
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	9.31
IP(EA), eV:	-7.58(-1.0)
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-(3-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations