Geometry & MOs

Info

ID:

434575

PubChem CID:

135175250

Reduced:

SF2N3O6C42H47 (1)

Stoich.:

AB2C3D6E42F47 (1)

Weight, g/mol:

649.14215

ΔHf, kcal/mol:

-312.37

Dipole, Da:

9.07

IP(EA), eV:

 -9.16(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-[4-(aminomethyl)piperidin-1-yl]-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=CC(=C3)C4=CC=CC=C4)(F)F)NS(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations