Geometry & MOs

Info

ID:	217498
PubChem CID:	85087906
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	-143.02
Dipole, Da:	2.63
IP(EA), eV:	-9.12(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-methyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C1C(N=C(O1)C2=CC=C(C=C2)OC)C(=O)OC)OCC3=CC=CC=C3

DOS

IR

Vibrations