Geometry & MOs

Info

ID:	66516
PubChem CID:	46504717
Reduced:	BrSN2O4C20H27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	478.05619
ΔH_f, kcal/mol:	-169.29
Dipole, Da:	6.24
IP(EA), eV:	-8.97(-0.78)
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-ethyl-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3CCCCCC3)Br

DOS

IR

Vibrations