Geometry & MOs

Info

ID:	152102
PubChem CID:	56310959
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	496.06676
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	7.97
IP(EA), eV:	-8.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-4-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylsulfamoyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(C2)CNS(=O)(=O)C3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations