Geometry & MOs

Info

ID:	67213
PubChem CID:	46506073
Reduced:	BrSN3O6C21H28 (1)
Stoich.:	ABC3D6E21F28 (1)
Weight, g/mol:	468.03546
ΔH_f, kcal/mol:	-241.97
Dipole, Da:	4.61
IP(EA), eV:	-9.09(-1.02)
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-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations