Geometry & MOs

Info

ID:

376059

PubChem CID:

134222061

Reduced:

ClON2F3C28H28 (1)

Stoich.:

ABC2D3E28F28 (1)

Weight, g/mol:

575.184794

ΔHf, kcal/mol:

-170.41

Dipole, Da:

1.43

IP(EA), eV:

 -9.22(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-(4-amino-2-oxopyrimidin-1-yl)-4-[(E)-3-[3-(4-amino-2-oxopyrimidin-1-yl)-5-chloro-4-fluorophenyl]but-1-enyl]phenyl]methyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC(=O)NCC2=C(C=C(C=C2)/C=C/C(C3=CC(=C(C(=C3)C)C)Cl)C(F)(F)F)C

DOS

IR

Vibrations