Geometry & MOs

Info

ID:

229683

PubChem CID:

87568431

Reduced:

FN3O4C26H30 (1)

Stoich.:

AB3C4D26E30 (1)

Weight, g/mol:

600.225385

ΔHf, kcal/mol:

-135.95

Dipole, Da:

6.01

IP(EA), eV:

 -9.01(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R)-2-tert-butyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-[1-(2-methylsulfonyloxyethyl)benzimidazol-2-yl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(=CC2=CC=C(C=C2)N(C(=O)CCCCCCC(=O)N)O)C3=CC=C(C=C3)F

DOS

IR

Vibrations