Geometry & MOs

Info

ID:	1598
PubChem CID:	4750
Reduced:	ClFOSN4C15H16 (1)
Stoich.:	ABCDE4F15G16 (1)
Weight, g/mol:	354.071738
ΔH_f, kcal/mol:	-18.32
Dipole, Da:	4.57
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-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)Cl)S)F

DOS

IR

Vibrations