Geometry & MOs

Info

ID:	217520
PubChem CID:	85087936
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	371.093977
ΔH_f, kcal/mol:	23.77
Dipole, Da:	6.92
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-(2-methoxypyridin-4-yl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-3H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(CNN2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations