Geometry & MOs

Info

ID:

447856

PubChem CID:

135286370

Reduced:

OSN7H21C27 (1)

Stoich.:

ABC7D21E27 (1)

Weight, g/mol:

481.168081

ΔHf, kcal/mol:

179.35

Dipole, Da:

9.69

IP(EA), eV:

 -8.53(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[7-chloro-3-fluoro-8-[[(1R)-1-[3-(hydroxymethyl)phenyl]ethyl]amino]-6-methyl-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CSC=C7)N=C3

DOS

IR

Vibrations