Geometry & MOs

Info

ID:

435107

PubChem CID:

135180743

Reduced:

Cl2O4N6C27H30 (1)

Stoich.:

A2B4C6D27E30 (1)

Weight, g/mol:

608.170559

ΔHf, kcal/mol:

-70.26

Dipole, Da:

3.71

IP(EA), eV:

 -8.35(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(oxolan-3-ylmethylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-methylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC3=CN=C(C=C3C(=N2)N4CCCCC4)N[C@@H]5COC[C@@H]5NC(=O)C=C)Cl)OC

DOS

IR

Vibrations