Geometry & MOs

Info

ID:

414596

PubChem CID:

135087555

Reduced:

S2N7O9C37H51 (1)

Stoich.:

A2B7C9D37E51 (1)

Weight, g/mol:

346.152872

ΔHf, kcal/mol:

-358.11

Dipole, Da:

11.36

IP(EA), eV:

 -8.61(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-(methoxymethyl)cyclobutyl]methylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)S(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C)CC4=CC=CC=C4)C)CCSC)C(C)C

DOS

IR

Vibrations