Geometry & MOs

Info

ID:	164930
PubChem CID:	74474115
Reduced:	O3N4C28H29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	290.983285
ΔH_f, kcal/mol:	-3.18
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.357110
Charge, e:	-1

Chem-info

IUPAC name:

5-thiophen-2-yl-4-(thiophen-2-ylmethylideneamino)-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=[N+](C=N5)CCN6CCOCC6)N

DOS

IR

Vibrations