Geometry & MOs

Info

ID:	61308
PubChem CID:	26708084
Reduced:	FSO3N5H24C25 (1)
Stoich.:	ABC3D5E24F25 (1)
Weight, g/mol:	456.01547
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	9.09
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations