Geometry & MOs

Info

ID:

300303

PubChem CID:

121270281

Reduced:

ClO2N6C26H27 (1)

Stoich.:

AB2C6D26E27 (1)

Weight, g/mol:

477.156767

ΔHf, kcal/mol:

28.18

Dipole, Da:

4.55

IP(EA), eV:

 -8.76(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-3,3-dimethyl-2-[5-[2-(5-methyl-1,3-oxazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridin-3-yl]isoindol-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)N2CC3(C2)CN(C3)C4=CC(=CN=C4)N5C(=O)C6=C(C5(C)C)C=C(C=C6)Cl)C

DOS

IR

Vibrations