Geometry & MOs

Info

ID:	67233
PubChem CID:	46506110
Reduced:	BrClSN2O5C21H22 (1)
Stoich.:	ABCD2E5F21G22 (1)
Weight, g/mol:	474.08241
ΔH_f, kcal/mol:	-163.49
Dipole, Da:	9.1
IP(EA), eV:	-8.29(-0.87)
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-(3-ethoxypropyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations