Geometry & MOs

Info

ID:

159056

PubChem CID:

57260087

Reduced:

Si2O7C41H66 (1)

Stoich.:

A2B7C41D66 (1)

Weight, g/mol:

459.15764

ΔHf, kcal/mol:

-430.66

Dipole, Da:

8.26

IP(EA), eV:

 -8.6(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-ylmethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CCC3C(CCOC3=O)O[Si](C)(C)C(C)(C)C)OC(=O)C(C(C)C)OC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations