Geometry & MOs

Info

ID:

229668

PubChem CID:

87568376

Reduced:

BrNPF2O4C24H31 (1)

Stoich.:

ABCD2E4F24G31 (1)

Weight, g/mol:

555.105132

ΔHf, kcal/mol:

-325.63

Dipole, Da:

7.38

IP(EA), eV:

 -9.49(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-cyclopropyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2,2,2-trifluoroethoxy)methyl]phenyl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CCN(CC)C(=O)CCC2=CC=CC=C2)Br)(F)F)O

DOS

IR

Vibrations