Geometry & MOs

Info

ID:	67217
PubChem CID:	46506081
Reduced:	BrSN2O4C20H27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	470.08749
ΔH_f, kcal/mol:	-166.02
Dipole, Da:	5.78
IP(EA), eV:	-8.91(-0.73)
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-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCCCC3C)Br

DOS

IR

Vibrations