Geometry & MOs

Info

ID:

230220

PubChem CID:

87570447

Reduced:

O5N10C36H52 (1)

Stoich.:

A5B10C36D52 (1)

Weight, g/mol:

554.079313

ΔHf, kcal/mol:

-42.65

Dipole, Da:

6.78

IP(EA), eV:

 -8.4(-2.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-5-fluoro-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC2=C(C3=C4C=CC(=C3C(=C2C(=O)O)C(=O)NNCCN5CCCCC5)C(=O)NC4=O)/C(=N/NCCN6CCCCC6)/N

DOS

IR

Vibrations