Geometry & MOs

Info

ID:	85706
PubChem CID:	49878407
Reduced:	BrSN3O4C27H34 (1)
Stoich.:	ABC3D4E27F34 (1)
Weight, g/mol:	563.10895
ΔH_f, kcal/mol:	-143.65
Dipole, Da:	8.31
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C(=CC(=C2)Br)S(=O)(=O)N3CCCC(C3)C(=O)NC(C)CCC4=CC=CC=C4

DOS

IR

Vibrations