Geometry & MOs

Info

ID:	153611
PubChem CID:	56312880
Reduced:	FO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	415.172976
ΔH_f, kcal/mol:	-72.81
Dipole, Da:	4.37
IP(EA), eV:	-8.86(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-(1,4-dimethylcyclohexyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations