Geometry & MOs

Info

ID:	27495
PubChem CID:	821625
Reduced:	SN3O3C11H11 (1)
Stoich.:	AB3C3D11E11 (1)
Weight, g/mol:	329.05826
ΔH_f, kcal/mol:	-36.21
Dipole, Da:	9.57
IP(EA), eV:	-9.37(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NC2=NN=CS2)OC

DOS

IR

Vibrations