Geometry & MOs

Info

ID:

179639

PubChem CID:

76514637

Reduced:

N2F3O4H12C14 (2)

Stoich.:

A2B3C4D12E14 (2)

Weight, g/mol:

544.156969

ΔHf, kcal/mol:

-482.43

Dipole, Da:

10.15

IP(EA), eV:

 -9.91(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-hydroxy-7-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-chromen-3-yl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)NC1COC2=C(C1O)C=CC(=C2)C3=NOC(=N3)C4=C(C(=NO4)C5=CC=CC=C5)C(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations