Geometry & MOs

Info

ID:

376036

PubChem CID:

134222036

Reduced:

NOF7H22C24 (1)

Stoich.:

ABC7D22E24 (1)

Weight, g/mol:

676.192499

ΔHf, kcal/mol:

-388.17

Dipole, Da:

3.17

IP(EA), eV:

 -9.57(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(E)-3-[3-(4-amino-2-oxopyrimidin-1-yl)-5-chlorophenyl]-4,4,4-trifluorobut-1-enyl]-N-[[6-(4-amino-2-oxopyrimidin-1-yl)pyridin-3-yl]methyl]-N,2-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)C(/C=C/C2=CC3=C(C=C2)C(CC3)NC(=O)CC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations