Geometry & MOs

Info

ID:

173368

PubChem CID:

75629483

Reduced:

F2N4O8C27H30 (1)

Stoich.:

A2B4C8D27E30 (1)

Weight, g/mol:

604.23447

ΔHf, kcal/mol:

-374.3

Dipole, Da:

6.28

IP(EA), eV:

 -9.77(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-bis(4-fluorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydropteridin-3-yl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2C(NC(C(N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)N(C1=O)C5C(C(C(O5)CO)O)O

DOS

IR

Vibrations