Geometry & MOs

Info

ID:	66520
PubChem CID:	46504728
Reduced:	BrSN3O4C25H30 (1)
Stoich.:	ABC3D4E25F30 (1)
Weight, g/mol:	416.04054
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	7.42
IP(EA), eV:	-8.44(-0.85)
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-propylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=C(C=C4CCN(C4=C3)C(=O)C)Br)C

DOS

IR

Vibrations