Geometry & MOs

Info

ID:	158478
PubChem CID:	56463777
Reduced:	SF2N2O5C18H24 (1)
Stoich.:	AB2C2D5E18F24 (1)
Weight, g/mol:	407.04021
ΔH_f, kcal/mol:	-304.96
Dipole, Da:	11.47
IP(EA), eV:	-9.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(2-ethylsulfonylethyl)-5-methoxy-4-propoxybenzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2OC(F)F

DOS

IR

Vibrations