Geometry & MOs

Info

ID:

444615

PubChem CID:

135263027

Reduced:

SN2O4C27H30 (1)

Stoich.:

AB2C4D27E30 (1)

Weight, g/mol:

446.186652

ΔHf, kcal/mol:

-104.42

Dipole, Da:

5.03

IP(EA), eV:

 -8.81(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanal

Drug info:

PubChemData

Smile

CCN1C2=C(CS1(=O)=O)C=C(C=C2)C3(CC3)C(=O)NC(C4=C(C=C(C=C4)C)C)C5=CC=C(O5)C

DOS

IR

Vibrations