Geometry & MOs

Info

ID:	419370
PubChem CID:	135108052
Reduced:	ClFN5O5C34H47 (1)
Stoich.:	ABC5D5E34F47 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-247.05
Dipole, Da:	4.68
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-2-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)CC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations