Geometry & MOs

Info

ID:

230261

PubChem CID:

87570539

Reduced:

SN3O3F4H25C28 (1)

Stoich.:

AB3C3D4E25F28 (1)

Weight, g/mol:

534.129289

ΔHf, kcal/mol:

-189.59

Dipole, Da:

2.1

IP(EA), eV:

 -8.93(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(3-methyl-2H-thiophen-3-yl)methylsulfonylamino]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCC2=C(SC(=N2)C3=CC=C(C=C3)C(F)(F)F)COC4=CC(=C(C=C4)/C(=N/O)/N)F

DOS

IR

Vibrations