Geometry & MOs

Info

ID:	31990
PubChem CID:	3727070
Reduced:	FO4N5H16C19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	393.078327
ΔH_f, kcal/mol:	-129.74
Dipole, Da:	5.29
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(2-methoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NN=CC2=C(N(C(=O)NC2=O)CC3=CC=C(C=C3)F)O

DOS

IR

Vibrations