Geometry & MOs

Info

ID:	167025
PubChem CID:	74768731
Reduced:	SN3O3C15H15 (1)
Stoich.:	AB3C3D15E15 (1)
Weight, g/mol:	436.070463
ΔH_f, kcal/mol:	-42.54
Dipole, Da:	4.35
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]methyl 3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations