Geometry & MOs

Info

ID:	288807
PubChem CID:	104326251
Reduced:	FOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	291.084161
ΔH_f, kcal/mol:	-38.67
Dipole, Da:	7.58
IP(EA), eV:	-8.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxy-3-fluoroanilino)pyridine-4-carbothioamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=CC(=C(C=C2)C(=S)N)C)F

DOS

IR

Vibrations