Geometry & MOs

Info

ID:

424001

PubChem CID:

135121011

Reduced:

ClFO4N6C23H28 (1)

Stoich.:

ABC4D6E23F28 (1)

Weight, g/mol:

521.184125

ΔHf, kcal/mol:

-139.71

Dipole, Da:

9.18

IP(EA), eV:

 -8.82(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[(4-chlorophenyl)methyl]-4-(3-fluoro-4-propan-2-yloxyanilino)-6-oxo-1,2-dihydro-1,3,5-triazin-2-yl]oxy]-N-(2-hydroxyethyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)NC2=NC(NC(=O)N2CC3=CC=C(C=C3)Cl)OCC(=O)NN(C)C)F

DOS

IR

Vibrations