Geometry & MOs

Info

ID:	178967
PubChem CID:	76410661
Reduced:	N2O5C26H26 (1)
Stoich.:	A2B5C26D26 (1)
Weight, g/mol:	449.00032
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	6.45
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-4-[(4-chlorophenyl)methyl]imidazol-1-yl]-5-(iodomethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1C(N(C(=O)CO1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4)O

DOS

IR

Vibrations