Geometry & MOs

Info

ID:

188682

PubChem CID:

77753458

Reduced:

SN5O5C35H39 (1)

Stoich.:

AB5C5D35E39 (1)

Weight, g/mol:

475.233188

ΔHf, kcal/mol:

-71.17

Dipole, Da:

4.26

IP(EA), eV:

 -9.25(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]pyrrolidin-3-yl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2

DOS

IR

Vibrations