Geometry & MOs

Info

ID:	141166
PubChem CID:	52829303
Reduced:	F3N3O5C18H22 (1)
Stoich.:	A3B3C5D18E22 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-256.57
Dipole, Da:	5.63
IP(EA), eV:	-9.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCO[C@H](C1)ONC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations