Geometry & MOs

Info

ID:

52724

PubChem CID:

12015778

Reduced:

NO6C22H36 (2)

Stoich.:

AB6C22D36 (2)

Weight, g/mol:

504.193023

ΔHf, kcal/mol:

-544.55

Dipole, Da:

9.62

IP(EA), eV:

 -9.18(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (5R,6R)-1-acetyloxy-9-(benzenesulfonyl)-6-(furan-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCC2=CC=CC=C2)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC3CCCCO3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)C)(C)OC)C)C)O)(C)O

DOS

IR

Vibrations