Geometry & MOs

Info

ID:	166740
PubChem CID:	74727466
Reduced:	OSN6C14H23 (1)
Stoich.:	ABC6D14E23 (1)
Weight, g/mol:	272.060606
ΔH_f, kcal/mol:	34.26
Dipole, Da:	4.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752081
Charge, e:	-1

Chem-info

IUPAC name:

5-(furan-2-yl)-4-[(1-methylpyrrol-2-yl)methylideneamino]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2NC(CC(=O)N2)CSC3=NC=CC=N3

DOS

IR

Vibrations