Geometry & MOs

Info

ID:	85672
PubChem CID:	49877947
Reduced:	O2N4C14H23 (1)
Stoich.:	A2B4C14D23 (1)
Weight, g/mol:	586.07732
ΔH_f, kcal/mol:	28.61
Dipole, Da:	6.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.006186
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN\1C=C(C=C/C1=C/N=O)C(=O)NCCC[N+](C)(C)C

DOS

IR

Vibrations