Geometry & MOs

Info

ID:	417607
PubChem CID:	135102223
Reduced:	SN3O5C19H29 (1)
Stoich.:	AB3C5D19E29 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	-214.23
Dipole, Da:	2.76
IP(EA), eV:	-9.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-2-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCC3(CC2)[C@H]([C@](CCO3)(C)NC(=O)COC)O

DOS

IR

Vibrations