Geometry & MOs

Info

ID:

434999

PubChem CID:

135176767

Reduced:

FP2S2O9N11C19H24 (1)

Stoich.:

AB2C2D9E11F19G24 (1)

Weight, g/mol:

674.313602

ΔHf, kcal/mol:

-382.94

Dipole, Da:

11.2

IP(EA), eV:

 -9.33(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-[3-[3-[7-chloro-5-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-yl]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)OC2C(C(OC2N3C4=NC(=NC(=O)C4=NN3)N)COP(=S)(O)O)F)C5=CN=C6N5N=CN=C6N

DOS

IR

Vibrations