Geometry & MOs

Info

ID:

447890

PubChem CID:

135286596

Reduced:

FSO2N8H19C24 (1)

Stoich.:

ABC2D8E19F24 (1)

Weight, g/mol:

485.143009

ΔHf, kcal/mol:

91.53

Dipole, Da:

10.14

IP(EA), eV:

 -8.81(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[7-chloro-3-fluoro-8-[[(1R)-1-[2-fluoro-5-(hydroxymethyl)phenyl]ethyl]amino]-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CNN=C6)/C=C23

DOS

IR

Vibrations