Geometry & MOs

Info

ID:

441715

PubChem CID:

135241697

Reduced:

SN3F5O6H28C30 (1)

Stoich.:

AB3C5D6E28F30 (1)

Weight, g/mol:

626.114613

ΔHf, kcal/mol:

-361.8

Dipole, Da:

7.49

IP(EA), eV:

 -9.29(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-4-[[4-[(3R)-oxolan-3-yl]phenyl]methyl-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)NO)O)C(=O)C4CN(C4)S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations