Geometry & MOs

Info

ID:	134185
PubChem CID:	51659121
Reduced:	O2N5C23H33 (1)
Stoich.:	A2B5C23D33 (1)
Weight, g/mol:	429.105508
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	2.45
IP(EA), eV:	-8.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(Z)-1-ethoxy-4-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobut-1-en-1-olate

Drug info:

PubChemData

Smile

C1CCN2C(C1)[NH2+]C(CC2=O)CN3CC[NH+](CC3)CC4=COC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations