Geometry & MOs

Info

ID:

419227

PubChem CID:

135107770

Reduced:

SO6N8C38H46 (1)

Stoich.:

AB6C8D38E46 (1)

Weight, g/mol:

384.171893

ΔHf, kcal/mol:

-170.47

Dipole, Da:

5.87

IP(EA), eV:

 -8.65(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-[3-(dimethylsulfamoyl)propyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations