Geometry & MOs

Info

ID:	79832
PubChem CID:	49830687
Reduced:	OF4N4H10C16 (1)
Stoich.:	AB4C4D10E16 (1)
Weight, g/mol:	347.042131
ΔH_f, kcal/mol:	-162.33
Dipole, Da:	7.83
IP(EA), eV:	-9.41(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(5-cyanopyrazin-2-yl)carbamoylamino]-5-methoxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)NC(=O)NC2=C3C=CC(=CC3=NC=C2)F)C(F)(F)F

DOS

IR

Vibrations