Geometry & MOs

Info

ID:

412612

PubChem CID:

135085509

Reduced:

OSN5C43H43 (1)

Stoich.:

ABC5D43E43 (1)

Weight, g/mol:

1388.100316

ΔHf, kcal/mol:

115.86

Dipole, Da:

4.35

IP(EA), eV:

 -8.61(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3,3-tris(3,5-ditert-butylphenyl)-N-hydroxy-N-[2-[hydroxy-[3,3,3-tris(3,5-ditert-butylphenyl)propanoyl]amino]cyclohexyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)NC(=S)N[C@@H](C5=CC=CC6=CC=CC=C65)[C@H](C7=CC=CC8=CC=CC=C87)N

DOS

IR

Vibrations