Geometry & MOs

Info

ID:	194869
PubChem CID:	78599923
Reduced:	F2O3N4H20C21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	-131.41
Dipole, Da:	6.31
IP(EA), eV:	-9.38(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]benzamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=CC=C3OC(F)F

DOS

IR

Vibrations