Geometry & MOs

Info

ID:	179516
PubChem CID:	76491874
Reduced:	SSiN4O11C33H42 (1)
Stoich.:	ABC4D11E33F42 (1)
Weight, g/mol:	270.110338
ΔH_f, kcal/mol:	-287.21
Dipole, Da:	10.61
IP(EA), eV:	-9.02(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1S(=O)CCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations