Geometry & MOs

Info

ID:

177114

PubChem CID:

76136469

Reduced:

ClN2O7C36H43 (1)

Stoich.:

AB2C7D36E43 (1)

Weight, g/mol:

609.11833

ΔHf, kcal/mol:

-255.3

Dipole, Da:

5.74

IP(EA), eV:

 -8.8(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-5-[4-[[2-ethyl-2-(methoxymethyl)butoxy]carbonylamino]-5-iodo-2-oxopyrimidin-1-yl]-2-methyloxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1NC(=O)CN2CC(C(C2C3=CC=C(C=C3)OCCOC(C)C)C(=O)O)C4=C(C5=C(C=C4)OCO5)C)CC)Cl

DOS

IR

Vibrations