Geometry & MOs

Info

ID:	43046
PubChem CID:	10318172
Reduced:	OSN5H19C21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	389.220223
ΔH_f, kcal/mol:	62.49
Dipole, Da:	4.19
IP(EA), eV:	-8.75(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R,5R)-5-[(Z)-dec-2-enyl]-4-hydroxy-3-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C3=C(S2)C(=NC=N3)NCCO)C)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations