Geometry & MOs

Info

ID:

421832

PubChem CID:

135116694

Reduced:

N3O3C19H26 (2)

Stoich.:

A3B3C19D26 (2)

Weight, g/mol:

382.1021

ΔHf, kcal/mol:

-247.59

Dipole, Da:

6.56

IP(EA), eV:

 -8.57(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5S)-7-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=C(C4=CC=CC(=C4N3C)C)C)C(C)C

DOS

IR

Vibrations