Geometry & MOs

Info

ID:	162383
PubChem CID:	57394508
Reduced:	ClFSN3O5H17C23 (1)
Stoich.:	ABCD3E5F17G23 (1)
Weight, g/mol:	404.267508
ΔH_f, kcal/mol:	-177.13
Dipole, Da:	13.76
IP(EA), eV:	-9.2(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C3=C(C2=O)NC(=O)C=C3)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations