Geometry & MOs

Info

ID:

188686

PubChem CID:

77754153

Reduced:

ClF3N5O5C32H35 (1)

Stoich.:

AB3C5D5E32F35 (1)

Weight, g/mol:

452.169368

ΔHf, kcal/mol:

-317.63

Dipole, Da:

10.32

IP(EA), eV:

 -9.05(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(3,5-difluorophenyl)sulfanyl-1-[(6-oxopiperidin-3-yl)methyl]-4-propan-2-ylimidazol-2-yl]ethyl carbamate

Drug info:

PubChemData

Smile

COCC1=C(C(N(C(=O)N1)C(=O)NC2CCN(C2)C3CCC(CC3)C4=C(C=C(C=C4)F)C#N)C5=CC(=C(C=C5)F)F)C(=O)OC.Cl

DOS

IR

Vibrations