Geometry & MOs

Info

ID:	323105
PubChem CID:	126672542
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	448.135623
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	4.51
IP(EA), eV:	-8.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E,4E)-6-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-5-fluorohepta-2,4,6-trien-2-yl]-4-(fluoromethyl)-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCN1C=C(N=C1)C2=NC=CC(=C2)C(O)O)CC3CC3

DOS

IR

Vibrations