Geometry & MOs

Info

ID:	152893
PubChem CID:	56311980
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	442.0362
ΔH_f, kcal/mol:	-56.7
Dipole, Da:	3.35
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-fluoro-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations