Geometry & MOs

Info

ID:	417919
PubChem CID:	135103069
Reduced:	SN2O4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-160.06
Dipole, Da:	6.09
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)OC

DOS

IR

Vibrations