Geometry & MOs

Info

ID:	67249
PubChem CID:	46506138
Reduced:	BrSN3O4C23H36 (1)
Stoich.:	ABC3D4E23F36 (1)
Weight, g/mol:	557.96465
ΔH_f, kcal/mol:	-175.9
Dipole, Da:	7.33
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]propanamide

Drug info:

PubChemData

Smile

CCCN(CCC)CCCNC(=O)CCS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)CC)Br

DOS

IR

Vibrations