Geometry & MOs

Info

ID:	66534
PubChem CID:	46504751
Reduced:	BrSN3O5C24H28 (1)
Stoich.:	ABC3D5E24F28 (1)
Weight, g/mol:	494.05111
ΔH_f, kcal/mol:	-148.09
Dipole, Da:	5.95
IP(EA), eV:	-8.18(-0.79)
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-(2-ethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)Br

DOS

IR

Vibrations