Geometry & MOs

Info

ID:

80964

PubChem CID:

49854138

Reduced:

ZrCl2N2O2C34H36 (1)

Stoich.:

AB2C2D2E34F36 (1)

Weight, g/mol:

549.144882

ΔHf, kcal/mol:

-15.46

Dipole, Da:

3.86

IP(EA), eV:

 -5.93(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[3-[[5-chloro-4-[2-(methanesulfonamido)-4-methoxyanilino]pyrimidin-2-yl]amino]-4-methylphenoxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1[O-])C=NC2=CC=CC=C2.CC(C)(C)C1=CC=CC(=C1[O-])C=NC2=CC=CC=C2.[Cl-].[Cl-].[Zr+4]

DOS

IR

Vibrations