Geometry & MOs

Info

ID:	156840
PubChem CID:	56394673
Reduced:	ClSN3O3C26H28 (1)
Stoich.:	ABC3D3E26F28 (1)
Weight, g/mol:	436.05532
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	7.0
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-5-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations