Geometry & MOs

Info

ID:

447868

PubChem CID:

135286451

Reduced:

FON7H22C32 (1)

Stoich.:

ABC7D22E32 (1)

Weight, g/mol:

521.174229

ΔHf, kcal/mol:

143.8

Dipole, Da:

9.33

IP(EA), eV:

 -8.54(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-[3-chloro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=CC=C7F)N=C3

DOS

IR

Vibrations