Geometry & MOs

Info

ID:

313731

PubChem CID:

126617354

Reduced:

SO3N5H15C20 (1)

Stoich.:

AB3C5D15E20 (1)

Weight, g/mol:

544.145966

ΔHf, kcal/mol:

21.46

Dipole, Da:

6.92

IP(EA), eV:

 -8.89(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(O2)C3=NC(=O)C4=C(N3)C(=NC=C4)C5=CSC(=N5)NCCO

DOS

IR

Vibrations