Geometry & MOs

Info

ID:	141208
PubChem CID:	52837833
Reduced:	F2O2N5H19C20 (1)
Stoich.:	A2B2C5D19E20 (1)
Weight, g/mol:	470.1334
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	7.52
IP(EA), eV:	-9.36(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-methylsulfonylphenyl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(F)F)NC(=O)CCC2=C(N3C(=C(C=N3)C#N)N=C2C)C

DOS

IR

Vibrations