Geometry & MOs

Info

ID:

146897

PubChem CID:

53768465

Reduced:

N3O7C39H51 (1)

Stoich.:

A3B7C39D51 (1)

Weight, g/mol:

488.101763

ΔHf, kcal/mol:

-278.66

Dipole, Da:

4.12

IP(EA), eV:

 -8.92(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-5-[[4-[3-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propanoyl]phenyl]methyl]-3H-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](C2=CC=C(C=C2)OCCN3CCOCC3)C(=O)N(C)[C@@H]4[C@@H](CC5=CC=CC=C45)O)O

DOS

IR

Vibrations