Geometry & MOs

Info

ID:

188392

PubChem CID:

77708429

Reduced:

F2N3O5C28H35 (1)

Stoich.:

A2B3C5D28E35 (1)

Weight, g/mol:

686.149891

ΔHf, kcal/mol:

-314.29

Dipole, Da:

4.34

IP(EA), eV:

 -9.05(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]propylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CCNC(=O)C1C(C(CN1C(=O)C(C2=CC=CC=C2)(C(C)NC(=O)C3=C(C(=CC(=C3)C)O)C)O)(F)F)(C)C

DOS

IR

Vibrations