Geometry & MOs

Info

ID:	208725
PubChem CID:	80572013
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	1.98
IP(EA), eV:	-8.44(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-phenyloxan-4-yl)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=CC=CO1)NC(=O)CC2CNC3=CC=CC=C23

DOS

IR

Vibrations