Geometry & MOs

Info

ID:

416179

PubChem CID:

135089188

Reduced:

SO3N4C19H26 (2)

Stoich.:

AB3C4D19E26 (2)

Weight, g/mol:

324.158626

ΔHf, kcal/mol:

-201.23

Dipole, Da:

6.1

IP(EA), eV:

 -8.6(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)CC3=C(N=CC=C3)OC)CC4=CC=CC=C4)CCSC

DOS

IR

Vibrations