Geometry & MOs

Info

ID:

418027

PubChem CID:

135103347

Reduced:

SO6N9C41H51 (1)

Stoich.:

AB6C9D41E51 (1)

Weight, g/mol:

371.184506

ΔHf, kcal/mol:

-119.89

Dipole, Da:

3.3

IP(EA), eV:

 -8.96(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(hydroxymethyl)piperidin-1-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)CC4=C(N(N=C4C)C5=CC=CC=C5)C)C)C)C(C)C

DOS

IR

Vibrations