Geometry & MOs

Info

ID:

219675

PubChem CID:

85164427

Reduced:

N3O3C31H31 (1)

Stoich.:

A3B3C31D31 (1)

Weight, g/mol:

551.147469

ΔHf, kcal/mol:

-6.21

Dipole, Da:

3.47

IP(EA), eV:

 -9.07(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 1-[5-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-4aH-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]thiophene-2-carbonyl]azetidine-2,4-dicarboxylate

Drug info:

PubChemData

Smile

C#CCCC(C(=O)O)N=C(C1=CC=CC=C1)C2=CC=CC=C2NC(=O)C3CCCN3CC4=CC=CC=C4

DOS

IR

Vibrations