Geometry & MOs

Info

ID:	54658
PubChem CID:	17389055
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	468.091056
ΔH_f, kcal/mol:	0.4
Dipole, Da:	7.52
IP(EA), eV:	-8.77(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[(4-chlorophenyl)methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)OC)/C#N

DOS

IR

Vibrations