Geometry & MOs

Info

ID:	64527
PubChem CID:	29202769
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	427.117747
ΔH_f, kcal/mol:	-75.49
Dipole, Da:	8.66
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCCOC

DOS

IR

Vibrations