Geometry & MOs

Info

ID:	297895
PubChem CID:	117636413
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	537.102681
ΔH_f, kcal/mol:	-96.92
Dipole, Da:	3.64
IP(EA), eV:	-8.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methoxy-4-[3-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenoxy]quinazolin-7-yl] hypochlorite

Drug info:

PubChemData

Smile

C1CC1(C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CC5=C(C4)C(=CC=C5)F)O

DOS

IR

Vibrations