Geometry & MOs

Info

ID:

443141

PubChem CID:

135257838

Reduced:

N3O3C30H35 (1)

Stoich.:

A3B3C30D35 (1)

Weight, g/mol:

656.136411

ΔHf, kcal/mol:

-34.63

Dipole, Da:

3.06

IP(EA), eV:

 -9.11(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-N-[[5-(oxan-4-yl)pyridin-2-yl]methyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carboxamide

Drug info:

PubChemData

Smile

CCNCC(=O)N(CC1=CC=C(C=C1)C2CCCC2)C3=CC=C(C=C3)C(=O)NOCC4=CC=CC=C4

DOS

IR

Vibrations