Geometry & MOs

Info

ID:	61198
PubChem CID:	26707002
Reduced:	BrFSN2O5C19H20 (1)
Stoich.:	ABCD2E5F19G20 (1)
Weight, g/mol:	442.076549
ΔH_f, kcal/mol:	-194.94
Dipole, Da:	10.42
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-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=C(C=C(C=C3)Br)F

DOS

IR

Vibrations