Geometry & MOs

Info

ID:

423776

PubChem CID:

135120187

Reduced:

SO6N7C36H49 (1)

Stoich.:

AB6C7D36E49 (1)

Weight, g/mol:

359.220892

ΔHf, kcal/mol:

-196.91

Dipole, Da:

11.67

IP(EA), eV:

 -9.24(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(3R,4R)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCCC1=CC=C(O1)CN2CCN(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C3=CSC(=N3)[C@@H](NC(=O)C2)CC4=CC=CC=C4)C)C(C)C)C)C

DOS

IR

Vibrations