Geometry & MOs

Info

ID:

309859

PubChem CID:

126562799

Reduced:

ON3H12C14 (2)

Stoich.:

AB3C12D14 (2)

Weight, g/mol:

547.235473

ΔHf, kcal/mol:

106.43

Dipole, Da:

3.04

IP(EA), eV:

 -8.44(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-fluoro-3-[2-[3-[2-(fluoromethyl)-3-(oxan-2-yloxy)propoxy]iminoazetidin-1-yl]pyrimidin-5-yl]phenyl]methyl N-(diaminomethylidene)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=COC=C6

DOS

IR

Vibrations