Geometry & MOs

Info

ID:	153724
PubChem CID:	56313028
Reduced:	FNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	437.157326
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	0.67
IP(EA), eV:	-9.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations