Geometry & MOs

Info

ID:	302580
PubChem CID:	124385164
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	248.100836
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	2.46
IP(EA), eV:	-8.49(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1=C2CCNC[C@@H](C2=CC(=C1O)O)C3=CC=CC=C3

DOS

IR

Vibrations