Geometry & MOs

Info

ID:

376208

PubChem CID:

134222215

Reduced:

ClOF3N4H22C23 (1)

Stoich.:

ABC3D4E22F23 (1)

Weight, g/mol:

600.111822

ΔHf, kcal/mol:

-138.37

Dipole, Da:

7.76

IP(EA), eV:

 -8.92(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[(E)-3-[4-(4-amino-2-oxopyrimidin-1-yl)-3,5-dichlorophenyl]-4,4,4-trifluorobut-1-enyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3,3-difluoropropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=CC(=NC2=O)N)C(/C=C/C3=CC(=C(C=C3)CNC)Cl)C(F)(F)F

DOS

IR

Vibrations