Geometry & MOs

Info

ID:

443075

PubChem CID:

135257618

Reduced:

FN3H38C39 (1)

Stoich.:

AB3C38D39 (1)

Weight, g/mol:

638.178631

ΔHf, kcal/mol:

91.35

Dipole, Da:

4.85

IP(EA), eV:

 -8.35(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-(3-amino-2-fluoro-4-methanimidoylphenyl)-N-[(4-cyclohexylphenyl)methyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CNC3=C(C(=C(C=C3)C=N)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)F

DOS

IR

Vibrations