Geometry & MOs

Info

ID:

84228

PubChem CID:

49865076

Reduced:

ClSF3N5O7H21C28 (1)

Stoich.:

ABC3D5E7F21G28 (1)

Weight, g/mol:

663.080231

ΔHf, kcal/mol:

-334.58

Dipole, Da:

10.38

IP(EA), eV:

 -9.19(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-chloro-3-oxo-4-[2-oxo-2-[2-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]anilino]ethyl]-5-phenylpyrazin-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)N4C=C(N=C(C4=O)NCC(=O)O)Cl

DOS

IR

Vibrations