Geometry & MOs

Info

ID:

57391

PubChem CID:

22395819

Reduced:

SF3N3O7C22H22 (1)

Stoich.:

AB3C3D7E22F22 (1)

Weight, g/mol:

523.154385

ΔHf, kcal/mol:

-340.22

Dipole, Da:

11.96

IP(EA), eV:

 -10.02(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(3-chlorophenyl)sulfonylamino]pyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations