Geometry & MOs

Info

ID:

316017

PubChem CID:

126629669

Reduced:

ClSO5N7C24H34 (1)

Stoich.:

ABC5D7E24F34 (1)

Weight, g/mol:

540.155781

ΔHf, kcal/mol:

-124.03

Dipole, Da:

8.7

IP(EA), eV:

 -8.03(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[5-chloro-4-(1-methylsulfonylazetidin-3-yl)oxypyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=C(C(=N2)OC3CCN(C3)S(=O)(=O)C)Cl)OC

DOS

IR

Vibrations