Geometry & MOs

Info

ID:

178839

PubChem CID:

76388508

Reduced:

FPN7O7C30H39 (1)

Stoich.:

ABC7D7E30F39 (1)

Weight, g/mol:

508.188876

ΔHf, kcal/mol:

-329.46

Dipole, Da:

3.62

IP(EA), eV:

 -8.83(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-6-(3-fluoro-4-propan-2-yloxyanilino)-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)OC)NP(=O)(OCC1C(C(C(O1)N2C=NC3C2N=C(N=C3NC4CCCC4)N)(C)F)O)OC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations