Geometry & MOs

Info

ID:

166483

PubChem CID:

74698484

Reduced:

SN5H12C15 (1)

Stoich.:

AB5C12D15 (1)

Weight, g/mol:

283.065357

ΔHf, kcal/mol:

171.24

Dipole, Da:

5.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.036639

Charge, e:

 -1

Chem-info

IUPAC name:

4-(furan-2-ylmethylideneamino)-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(N2N=CC3=CN=CC=C3)[S-]

DOS

IR

Vibrations