Geometry & MOs

Info

ID:

225717

PubChem CID:

87225390

Reduced:

SN6O10C27H28 (1)

Stoich.:

AB6C10D27E28 (1)

Weight, g/mol:

533.97243

ΔHf, kcal/mol:

-324.59

Dipole, Da:

9.18

IP(EA), eV:

 -8.84(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-bromo-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)NCC5C(C(C(C(O5)O)O)O)O)/N2

DOS

IR

Vibrations