Geometry & MOs

Info

ID:	61197
PubChem CID:	26707001
Reduced:	FSN2O5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	486.02603
ΔH_f, kcal/mol:	-210.86
Dipole, Da:	9.62
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)C)F

DOS

IR

Vibrations