Geometry & MOs

Info

ID:

420505

PubChem CID:

135113517

Reduced:

O8N9C42H53 (1)

Stoich.:

A8B9C42D53 (1)

Weight, g/mol:

360.148535

ΔHf, kcal/mol:

-277.9

Dipole, Da:

9.35

IP(EA), eV:

 -8.59(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-(cyclohexen-1-yl)ethylamino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

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)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=CN=CC(=O)N5)C(C)C

DOS

IR

Vibrations