Geometry & MOs

Info

ID:

226536

PubChem CID:

87457812

Reduced:

SN6O7C36H46 (1)

Stoich.:

AB6C7D36E46 (1)

Weight, g/mol:

502.190241

ΔHf, kcal/mol:

-200.4

Dipole, Da:

1.85

IP(EA), eV:

 -9.6(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[N-[ethyl(4-hydroxybutyl)carbamoyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]pentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)/C=N/O)O)N3CC(=O)N(C3=O)CC4=CN=CC=C4

DOS

IR

Vibrations