Geometry & MOs

Info

ID:	66529
PubChem CID:	46504739
Reduced:	BrSN4O4C22H25 (1)
Stoich.:	ABC4D4E22F25 (1)
Weight, g/mol:	547.11404
ΔH_f, kcal/mol:	-106.8
Dipole, Da:	11.35
IP(EA), eV:	-8.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)Br

DOS

IR

Vibrations