Geometry & MOs

Info

ID:	166485
PubChem CID:	74698486
Reduced:	S2N4H11C14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	387.092715
ΔH_f, kcal/mol:	165.78
Dipole, Da:	6.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033804
Charge, e:	-1

Chem-info

IUPAC name:

5-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(N2N=CC3=CC=CS3)[S-]

DOS

IR

Vibrations