Geometry & MOs

Info

ID:	125441
PubChem CID:	50924280
Reduced:	F3N4O5H27C28 (1)
Stoich.:	A3B4C5D27E28 (1)
Weight, g/mol:	570.209005
ΔH_f, kcal/mol:	-200.13
Dipole, Da:	6.51
IP(EA), eV:	-9.26(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2S)-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidin-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C(C1=CC=C(C=C1)C2=NOC(=N2)C3=C(C(=NO3)C4=CC=CC=C4)C(F)(F)F)O)N5CCC[C@@H](C5)C(=O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C(C1=CC=C(C=C1)C2=NOC(=N2)C3=C(C(=NO3)C4=CC=CC=C4)C(F)(F)F)O)N5CCC[C@@H](C5)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):