Geometry & MOs

Info

ID:

188509

PubChem CID:

77726171

Reduced:

N5O5C35H41 (1)

Stoich.:

A5B5C35D41 (1)

Weight, g/mol:

610.209085

ΔHf, kcal/mol:

-117.44

Dipole, Da:

6.42

IP(EA), eV:

 -8.91(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-[[1-oxo-1-[4-(trifluoromethyl)phenyl]pent-2-en-3-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(CC2=CC=CC=C2)NC(=O)C(CNC(=O)C3CCCN(C3)C(=O)OC(C)(C)C)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations