Geometry & MOs

Info

ID:

426550

PubChem CID:

135146299

Reduced:

N6O11C50H78 (1)

Stoich.:

A6B11C50D78 (1)

Weight, g/mol:

353.133533

ΔHf, kcal/mol:

-510.46

Dipole, Da:

5.46

IP(EA), eV:

 -9.35(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1[C@H](CC[C@H]1[C@@H]([C@@H](C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)C)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O

DOS

IR

Vibrations