Geometry & MOs

Info

ID:

57443

PubChem CID:

22395937

Reduced:

ClFN2S2O5C18H18 (1)

Stoich.:

ABC2D2E5F18G18 (1)

Weight, g/mol:

765.244404

ΔHf, kcal/mol:

-209.89

Dipole, Da:

9.76

IP(EA), eV:

 -9.58(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]-2-[[2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NC(CC3=CC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations