Geometry & MOs

Info

ID:	440755
PubChem CID:	135231297
Reduced:	FNSO2C20H24 (1)
Stoich.:	ABCD2E20F24 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	6.35
IP(EA), eV:	-8.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(pyridin-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(CCN2C(C)C3=C(C=C(C=C3)S(=O)(=O)C)F)C=C1

DOS

IR

Vibrations