Geometry & MOs

Info

ID:	425527
PubChem CID:	135126624
Reduced:	SO4N6C31H36 (1)
Stoich.:	AB4C6D31E36 (1)
Weight, g/mol:	469.1849
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	4.92
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-2-acetyloxy-5-(azidomethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)N=C=O)C

DOS

IR

Vibrations