Geometry & MOs

Info

ID:

49818

PubChem CID:

11533903

Reduced:

ClO3N7C27H30 (1)

Stoich.:

AB3C7D27E30 (1)

Weight, g/mol:

536.236129

ΔHf, kcal/mol:

-47.79

Dipole, Da:

6.74

IP(EA), eV:

 -7.88(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]phenyl]pentan-3-yl]phenoxy]propane-1,2-diol

Drug info:

PubChemData

Smile

C[C@]1(CCCN(C1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC5=C4C(=O)N(C5)C)Cl)OC)C(=O)N

DOS

IR

Vibrations