Geometry & MOs

Info

ID:

426541

PubChem CID:

135145899

Reduced:

OSN7C25H25 (1)

Stoich.:

ABC7D25E25 (1)

Weight, g/mol:

637.175979

ΔHf, kcal/mol:

89.11

Dipole, Da:

9.86

IP(EA), eV:

 -8.1(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[[8-[2-chloro-3-[2-chloro-3-[[3-(hydroxymethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C/4\C(=C5C(=NC4=O)C=CS5)NCC6=CN=CC=C6)/N3

DOS

IR

Vibrations