Geometry & MOs

Info

ID:

447873

PubChem CID:

135286483

Reduced:

SN8C19H20 (1)

Stoich.:

AB8C19D20 (1)

Weight, g/mol:

551.13473

ΔHf, kcal/mol:

133.73

Dipole, Da:

5.76

IP(EA), eV:

 -8.46(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2,2-difluoroethyl]-4-fluorophenyl]ethane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=NC(=NC=C2C#N)NC3=NC=C(C=C3)N4CCNCC4

DOS

IR

Vibrations