Geometry & MOs

Info

ID:	69182
PubChem CID:	46530360
Reduced:	N2O5H20C23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	479.09512
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	5.64
IP(EA), eV:	-8.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations