Geometry & MOs

Info

ID:

378294

PubChem CID:

134224370

Reduced:

PSN4O7C20H23 (1)

Stoich.:

ABC4D7E20F23 (1)

Weight, g/mol:

485.142322

ΔHf, kcal/mol:

-251.3

Dipole, Da:

3.83

IP(EA), eV:

 -9.09(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-2-oxo-2-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC#C)NP(=O)(OC[C@@H]1O[C@@H](CS1)N2C=CC(=NC2=O)N)OC3=CC=CC=C3

DOS

IR

Vibrations