Geometry & MOs

Info

ID:

433895

PubChem CID:

135174042

Reduced:

PO4N6C25H31 (1)

Stoich.:

AB4C6D25E31 (1)

Weight, g/mol:

632.293346

ΔHf, kcal/mol:

-115.3

Dipole, Da:

3.86

IP(EA), eV:

 -9.04(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CNP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations