Geometry & MOs

Info

ID:

414425

PubChem CID:

135087383

Reduced:

N3O3C18H26 (2)

Stoich.:

A3B3C18D26 (2)

Weight, g/mol:

345.194008

ΔHf, kcal/mol:

-210.02

Dipole, Da:

5.71

IP(EA), eV:

 -9.06(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5S)-9-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3)C)CC5=CC=CC=C5

DOS

IR

Vibrations