Geometry & MOs

Info

ID:	59655
PubChem CID:	24891962
Reduced:	BrSN3O3C17H20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	485.162057
ΔH_f, kcal/mol:	-56.2
Dipole, Da:	9.18
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide

Drug info:

PubChemData

Smile

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=COCCO3

DOS

IR

Vibrations