Geometry & MOs

Info

ID:	55355
PubChem CID:	17395282
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	438.062046
ΔH_f, kcal/mol:	31.86
Dipole, Da:	6.09
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N'-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=CN2C)C

DOS

IR

Vibrations