Geometry & MOs

Info

ID:	73728
PubChem CID:	48420104
Reduced:	OSN2H6C8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	340.117155
ΔH_f, kcal/mol:	49.33
Dipole, Da:	4.76
IP(EA), eV:	-9.37(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OCCN4C=NC=N4

DOS

IR

Vibrations