Geometry & MOs

Info

ID:

150006

PubChem CID:

53789690

Reduced:

O3C45H80 (1)

Stoich.:

A3B45C80 (1)

Weight, g/mol:

511.152555

ΔHf, kcal/mol:

-288.79

Dipole, Da:

2.32

IP(EA), eV:

 -9.24(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[5-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4-methylthiophen-2-yl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC(C(=O)OC1CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CC=C2C1)[C@H](C)CCCC(C)C)C)C)O

DOS

IR

Vibrations