Geometry & MOs

Info

ID:

144606

PubChem CID:

53388068

Reduced:

F3N4O10C27H35 (1)

Stoich.:

A3B4C10D27E35 (1)

Weight, g/mol:

544.274443

ΔHf, kcal/mol:

-548.68

Dipole, Da:

4.83

IP(EA), eV:

 -9.36(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(2R)-3-[2-(2-methoxyethoxy)ethoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CC(=O)N(C[C@H](COCCOCCOC)NC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC)CC(=O)O

DOS

IR

Vibrations