Geometry & MOs

Info

ID:

443057

PubChem CID:

135257542

Reduced:

SN3O3F6H27C29 (1)

Stoich.:

AB3C3D6E27F29 (1)

Weight, g/mol:

624.135349

ΔHf, kcal/mol:

-294.94

Dipole, Da:

1.81

IP(EA), eV:

 -9.32(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-cyclopentylphenyl)methyl-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=C(C=C(C=C3)C(=O)NO)F)SC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations