Geometry & MOs

Info

ID:

433931

PubChem CID:

135174078

Reduced:

ClON2C18H21 (1)

Stoich.:

ABC2D18E21 (1)

Weight, g/mol:

633.252209

ΔHf, kcal/mol:

17.2

Dipole, Da:

3.05

IP(EA), eV:

 -8.98(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-[2-methyl-3-[2-methyl-3-[5-[2-(methylamino)acetyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC=CC=C2OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations