Geometry & MOs

Info

ID:

392590

PubChem CID:

135017289

Reduced:

NO5C23H39 (1)

Stoich.:

AB5C23D39 (1)

Weight, g/mol:

581.335253

ΔHf, kcal/mol:

-255.11

Dipole, Da:

5.18

IP(EA), eV:

 -8.94(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl (2S,3S,4S)-2-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)O[C@H]1CN([C@H]([C@@H]1OC(C)(C)C)[C@@H](CO)[C@@H](CO)O)CC2=CC=CC=C2

DOS

IR

Vibrations