Geometry & MOs

Info

ID:	28783
PubChem CID:	829601
Reduced:	FSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	-93.83
Dipole, Da:	3.68
IP(EA), eV:	-8.85(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyridin-3-ylethylideneamino)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=S)N1C)C2=CC=CC=C2F)C(=O)OC

DOS

IR

Vibrations