Geometry & MOs

Info

ID:

382199

PubChem CID:

134973189

Reduced:

NO3C30H33 (1)

Stoich.:

AB3C30D33 (1)

Weight, g/mol:

531.220091

ΔHf, kcal/mol:

-32.33

Dipole, Da:

4.47

IP(EA), eV:

-8.24(0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethynyl-4-(methoxymethoxy)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CCC2N1[C@@H]([C@H](C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5

DOS

IR

Vibrations