Geometry & MOs

Info

ID:	375595
PubChem CID:	134214065
Reduced:	NOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	481.115479
ΔH_f, kcal/mol:	-43.39
Dipole, Da:	0.76
IP(EA), eV:	-8.69(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-methyl-8-[2-[[(6E)-6-[2-methyl-4,6-bis(sulfanylidene)-1H-pyrimidin-5-ylidene]-1H-pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=N1)C)CC

DOS

IR

Vibrations