Geometry & MOs

Info

ID:	56545
PubChem CID:	17436218
Reduced:	OSN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	326.083747
ΔH_f, kcal/mol:	33.6
Dipole, Da:	3.78
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CSC(=N1)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations