Geometry & MOs

Info

ID:

439499

PubChem CID:

135229273

Reduced:

N2S3C35H64 (1)

Stoich.:

A2B3C35D64 (1)

Weight, g/mol:

1106.470228

ΔHf, kcal/mol:

0.84

Dipole, Da:

2.96

IP(EA), eV:

 -7.0(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-tert-butyl-5-[4-[3-[4-[2-[4-[2-(3-tert-butyl-2-cyanophenoxy)butan-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2-cyanophenyl]-2,3,3,4-tetramethylhexan-2-yl]benzoyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCSCCN(CCC1CC2C3C1CCCC3S2(C)C4CCC5C4CC(C6C5CCCC6)N(C)C)CCSCC

DOS

IR

Vibrations