Geometry & MOs

Info

ID:

44935

PubChem CID:

10506635

Reduced:

INSO3C24H32 (1)

Stoich.:

ABCD3E24F32 (1)

Weight, g/mol:

541.281942

ΔHf, kcal/mol:

-97.07

Dipole, Da:

12.08

IP(EA), eV:

 -7.21(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-(2,4-dimethoxypyrimidine-5-carbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CCCCC1=[N+](C(=C(C(=C1C(=O)SCC)CC)C(=O)OCC)C2=CC=CC=C2)C.[I-]

DOS

IR

Vibrations