Geometry & MOs

Info

ID:	67225
PubChem CID:	46506096
Reduced:	BrSN3O4C25H30 (1)
Stoich.:	ABC3D4E25F30 (1)
Weight, g/mol:	546.11879
ΔH_f, kcal/mol:	-116.38
Dipole, Da:	11.94
IP(EA), eV:	-8.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperidin-1-yl)-3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)Br

DOS

IR

Vibrations