Geometry & MOs

Info

ID:

377177

PubChem CID:

134223215

Reduced:

N2O2C11H26 (1)

Stoich.:

A2B2C11D26 (1)

Weight, g/mol:

672.271919

ΔHf, kcal/mol:

-93.54

Dipole, Da:

2.98

IP(EA), eV:

 -9.03(1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R,5S)-4,5-diacetyloxy-6-[4-[[4-[[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-2-cyano-5-fluorophenoxy]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC(C)(CC(C)(C)OC)N(C)OCN

DOS

IR

Vibrations