Geometry & MOs

Info

ID:	73743
PubChem CID:	48420291
Reduced:	FO3N5H14C18 (1)
Stoich.:	AB3C5D14E18 (1)
Weight, g/mol:	346.073576
ΔH_f, kcal/mol:	-3.8
Dipole, Da:	3.98
IP(EA), eV:	-10.09(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3F)C(=O)OCCN4C=NC=N4

DOS

IR

Vibrations