Geometry & MOs

Info

ID:	380870
PubChem CID:	134971448
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	399.138545
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	4.51
IP(EA), eV:	-8.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3S,4R)-1-(1,3-dithian-2-yl)-2,5-dihydroxy-3,4-bis(methoxymethoxy)pentyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C(C2=NC3=CC=CC=C3C(=C2)N)O)C(=O)OC

DOS

IR

Vibrations