Geometry & MOs

Info

ID:

222762

PubChem CID:

85332427

Reduced:

N2O9C26H38 (1)

Stoich.:

A2B9C26D38 (1)

Weight, g/mol:

530.140704

ΔHf, kcal/mol:

-378.68

Dipole, Da:

1.99

IP(EA), eV:

 -9.82(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-chloro-2-(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-N-(1-oxo-3,4,4a,5,6,7,8,8a-octahydrobenzo[d]oxazin-6-yl)-2-(trifluoromethyl)pentanamide

Drug info:

PubChemData

Smile

CC(C)(C)C=CC(C(C(C(C(=O)NC1CCCC(NC1=O)OC(=O)OCC2=CC=CC=C2)OC)O)O)O

DOS

IR

Vibrations