Geometry & MOs

Info

ID:

222801

PubChem CID:

85332565

Reduced:

ClSN2F3O5C24H26 (1)

Stoich.:

ABC2D3E5F24G26 (1)

Weight, g/mol:

536.163804

ΔHf, kcal/mol:

-372.38

Dipole, Da:

8.71

IP(EA), eV:

 -8.5(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-(N'-cyclobutyloxycarbamimidoyl)phenyl]methyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC3C(C2C(C1)O)NC(=C4C=CC=C(C4=O)C5=CC(=CC=C5)C(F)(F)F)N3)S(=O)(=O)O.Cl

DOS

IR

Vibrations