Geometry & MOs

Info

ID:

448358

PubChem CID:

135290345

Reduced:

BrClN2O4C27H28 (1)

Stoich.:

ABC2D4E27F28 (1)

Weight, g/mol:

631.04897

ΔHf, kcal/mol:

-98.6

Dipole, Da:

11.63

IP(EA), eV:

 -8.96(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-bromo-4-chloro-5-(3-methoxypropoxy)phenyl]-3-methylsulfonyloxypropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C=CC1=O)N2C(CCC2(C)C)C3=CC(=C(C=C3Br)Cl)OCC4=CC=CC=C4

DOS

IR

Vibrations