Geometry & MOs

Info

ID:	67245
PubChem CID:	46506129
Reduced:	BrClSN2O4C20H20 (1)
Stoich.:	ABCD2E4F20G20 (1)
Weight, g/mol:	444.07184
ΔH_f, kcal/mol:	-131.64
Dipole, Da:	7.01
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=CC(=CC=C3)Cl)Br

DOS

IR

Vibrations