Geometry & MOs

Info

ID:

420351

PubChem CID:

135112668

Reduced:

SN6O6C35H44 (1)

Stoich.:

AB6C6D35E44 (1)

Weight, g/mol:

386.231791

ΔHf, kcal/mol:

-216.49

Dipole, Da:

3.81

IP(EA), eV:

 -8.85(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)C2=NC3=CC=CC=C3C(=C2)OC)CC4=CC=CC=C4

DOS

IR

Vibrations