Geometry & MOs

Info

ID:	85710
PubChem CID:	49878423
Reduced:	BrSN4O4C28H35 (1)
Stoich.:	ABC4D4E28F35 (1)
Weight, g/mol:	555.0639
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	8.61
IP(EA), eV:	-8.62(-0.73)
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-(3,4-difluorophenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C(=CC(=C2)Br)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations