Geometry & MOs

Info

ID:

49512

PubChem CID:

11533152

Reduced:

NO3C31H49 (1)

Stoich.:

AB3C31D49 (1)

Weight, g/mol:

483.080883

ΔHf, kcal/mol:

-197.61

Dipole, Da:

8.39

IP(EA), eV:

 -9.35(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)C4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)N)OC(=O)C)C)C)C2[C@H]1C)C)C

DOS

IR

Vibrations