Geometry & MOs

Info

ID:

317820

PubChem CID:

126646199

Reduced:

SN4O7C18H26 (1)

Stoich.:

AB4C7D18E26 (1)

Weight, g/mol:

526.242749

ΔHf, kcal/mol:

-265.9

Dipole, Da:

4.16

IP(EA), eV:

 -9.15(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[4-[[(3S,3aR,6S,6aR)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]pyrimidin-2-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC3=NC(=NC=C3)NC4CCN(CC4)S(=O)(=O)C

DOS

IR

Vibrations