Geometry & MOs

Info

ID:

225725

PubChem CID:

87225398

Reduced:

SO3N5H19C21 (1)

Stoich.:

AB3C5D19E21 (1)

Weight, g/mol:

562.00373

ΔHf, kcal/mol:

-13.27

Dipole, Da:

9.59

IP(EA), eV:

 -8.26(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C/C(=C/2\NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=CC(=CC=C4)S(=O)(=O)N

DOS

IR

Vibrations