Geometry & MOs

Info

ID:

187545

PubChem CID:

77588851

Reduced:

O2N3F4H23C25 (1)

Stoich.:

A2B3C4D23E25 (1)

Weight, g/mol:

491.209007

ΔHf, kcal/mol:

-184.36

Dipole, Da:

7.74

IP(EA), eV:

 -8.83(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[[1-(4-aminophenyl)sulfonyl-2-methylpropyl]amino]methyl]-4-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3C(=O)N(CC(O3)(C)C)C(C)C4=C(C(=C(C=C4)F)F)F)F

DOS

IR

Vibrations