Geometry & MOs

Info

ID:	226109
PubChem CID:	87325754
Reduced:	N4O7H22C28 (1)
Stoich.:	A4B7C22D28 (1)
Weight, g/mol:	329.083413
ΔH_f, kcal/mol:	-77.95
Dipole, Da:	9.45
IP(EA), eV:	-9.47(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-amino-2-oxo-1-pyridin-2-ylethyl)-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)/C=N/O)N=C4C3=C2)CC6=CC=C(C=C6)[N+](=O)[O-])O

DOS

IR

Vibrations