Geometry & MOs

Info

ID:

81157

PubChem CID:

49854414

Reduced:

F2O3N5H37C40 (1)

Stoich.:

A2B3C5D37E40 (1)

Weight, g/mol:

645.255146

ΔHf, kcal/mol:

-86.14

Dipole, Da:

8.81

IP(EA), eV:

 -8.95(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-7-methyl-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=NC(=O)N2C4=CC=CC=C4)N5CCN(CC5)C(C6=CC=C(C=C6)F)C7=CC=C(C=C7)F)C

DOS

IR

Vibrations