Geometry & MOs

Info

ID:	1599
PubChem CID:	4751
Reduced:	FOSN5C16H16 (1)
Stoich.:	ABCD5E16F16 (1)
Weight, g/mol:	345.105959
ΔH_f, kcal/mol:	19.0
Dipole, Da:	7.26
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyanopyridin-2-yl)-N'-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=NC=C1)CCN=C(NC2=NC=C(C=C2)C#N)S)F

DOS

IR

Vibrations