Geometry & MOs

Info

ID:

427028

PubChem CID:

135155126

Reduced:

BrSN3F5O6C29H31 (1)

Stoich.:

ABC3D5E6F29G31 (1)

Weight, g/mol:

721.08806

ΔHf, kcal/mol:

-449.76

Dipole, Da:

7.43

IP(EA), eV:

 -8.9(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R)-3-(4-aminopiperidin-1-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-(6-propan-2-yloxynaphthalen-2-yl)sulfonylamino] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)Br)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations