Geometry & MOs

Info

ID:	85707
PubChem CID:	49878412
Reduced:	BrSN3O5C25H30 (1)
Stoich.:	ABC3D5E25F30 (1)
Weight, g/mol:	561.12969
ΔH_f, kcal/mol:	-171.08
Dipole, Da:	4.67
IP(EA), eV:	-8.2(-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-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C(=CC(=C2)Br)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)OCC

DOS

IR

Vibrations