Geometry & MOs

Info

ID:

299647

PubChem CID:

117688272

Reduced:

FN5O5C26H30 (1)

Stoich.:

AB5C5D26E30 (1)

Weight, g/mol:

663.293799

ΔHf, kcal/mol:

-157.6

Dipole, Da:

7.12

IP(EA), eV:

 -9.33(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[1-hexoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)ON1CCC(CC1)NC(=O)C2=C(NC3=C2N=CN=C3C4=C(C=CC(=C4)F)OCC5CC5)C

DOS

IR

Vibrations