Geometry & MOs

Info

ID:

323812

PubChem CID:

126676231

Reduced:

NO3C19H29 (1)

Stoich.:

AB3C19D29 (1)

Weight, g/mol:

826.400473

ΔHf, kcal/mol:

-142.52

Dipole, Da:

5.38

IP(EA), eV:

 -8.2(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,4-ditert-butyl-5-[[3-(2-fluorophenyl)-3-oxopropanoyl]amino]phenyl] [3-[3-(2,4-ditert-butyl-5-hydroxyanilino)-3-oxopropanoyl]-4-fluorophenyl]methyl carbonate

Drug info:

PubChemData

Smile

CCO/C=C/C(=O)NC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O

DOS

IR

Vibrations