Geometry & MOs

Info

ID:

57396

PubChem CID:

22395826

Reduced:

SCl2N3O6H25C26 (1)

Stoich.:

AB2C3D6E25F26 (1)

Weight, g/mol:

557.115412

ΔHf, kcal/mol:

-187.91

Dipole, Da:

11.2

IP(EA), eV:

 -8.34(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(3,5-dichlorophenyl)sulfonylamino]pyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC=C(C=C3)OC4=CC=CC=C4N)C(=O)O

DOS

IR

Vibrations