Geometry & MOs

Info

ID:	302724
PubChem CID:	124393525
Reduced:	N3O4H17C24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	68.37
Dipole, Da:	1.97
IP(EA), eV:	-8.96(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5R)-7-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C(/C#N)\C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3C#N

DOS

IR

Vibrations