Geometry & MOs

Info

ID:	234710
PubChem CID:	92303355
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	325.152537
ΔH_f, kcal/mol:	-70.77
Dipole, Da:	9.45
IP(EA), eV:	-9.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R,4R,5S,6S)-5-hydroxy-6-(hydroxymethyl)-4-methoxy-2-phenylmethoxyoxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CCCSC1=NC=NC2=C1NC=N2)C(=O)O

DOS

IR

Vibrations