Geometry & MOs

Info

ID:	435140
PubChem CID:	135181699
Reduced:	FOSN4H13C19 (1)
Stoich.:	ABCD4E13F19 (1)
Weight, g/mol:	493.215013
ΔH_f, kcal/mol:	29.56
Dipole, Da:	6.53
IP(EA), eV:	-9.58(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-(9-fluoro-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN2C(=O)C(=C(N=C2SC1)C3=C(C=C(C=C3)C4=CN=CC=C4)F)C#N

DOS

IR

Vibrations