Geometry & MOs

Info

ID:	67216
PubChem CID:	46506079
Reduced:	BrSN2O4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	470.08749
ΔH_f, kcal/mol:	-117.46
Dipole, Da:	7.13
IP(EA), eV:	-8.49(-0.82)
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-(2-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCC4=CC=CC=C43)Br

DOS

IR

Vibrations