Geometry & MOs

Info

ID:	291482
PubChem CID:	112719714
Reduced:	FNOSC11H12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	268.063011
ΔH_f, kcal/mol:	-37.92
Dipole, Da:	5.16
IP(EA), eV:	-9.07(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)CCCSC#N

DOS

IR

Vibrations