Geometry & MOs

Info

ID:	276393
PubChem CID:	103822974
Reduced:	FNBr2O2S2H6C10 (1)
Stoich.:	ABC2D2E2F6G10 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	4.95
IP(EA), eV:	-8.9(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)NS(=O)(=O)C2=C(C=CS2)Br)F

DOS

IR

Vibrations