Geometry & MOs

Info

ID:	185154
PubChem CID:	77262583
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	466.246772
ΔH_f, kcal/mol:	-178.29
Dipole, Da:	3.23
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-3-(4-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CCC(C(C1CCCCC1)C(=O)N2CCOCC2)(C(=O)C3=NC4=CC=CC=C4S3)OC(=O)N

DOS

IR

Vibrations