Geometry & MOs

Info

ID:

443116

PubChem CID:

135257757

Reduced:

ClSN2F5O5H34C38 (1)

Stoich.:

ABC2D5E5F34G38 (1)

Weight, g/mol:

632.199286

ΔHf, kcal/mol:

-350.72

Dipole, Da:

2.78

IP(EA), eV:

 -9.29(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(4-cyclohexylphenyl)methyl]-N-[4-(N-hydrazinylidenecarbamimidoyl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfinylazetidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)Cl)C(=O)[C@H]5CCCN5S(=O)(=O)C6=C(C(=C(C(=C6F)F)F)F)F

DOS

IR

Vibrations