Geometry & MOs

Info

ID:	66511
PubChem CID:	46504711
Reduced:	BrClSN3O4C23H25 (1)
Stoich.:	ABCD3E4F23G25 (1)
Weight, g/mol:	522.04602
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	9.69
IP(EA), eV:	-8.74(-0.82)
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-(1,3-benzodioxol-5-yl)-N-ethylpropanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4Cl)Br

DOS

IR

Vibrations