Geometry & MOs

Info

ID:

443134

PubChem CID:

135257803

Reduced:

OSN4F6H28C29 (1)

Stoich.:

ABC4D6E28F29 (1)

Weight, g/mol:

639.146248

ΔHf, kcal/mol:

-223.86

Dipole, Da:

2.85

IP(EA), eV:

 -9.03(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(5-cyclohexylpyridin-2-yl)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)N)C=N)F)SC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations