Geometry & MOs

Info

ID:	217773
PubChem CID:	85088362
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	396.014551
ΔH_f, kcal/mol:	-90.76
Dipole, Da:	3.48
IP(EA), eV:	-8.87(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(chloromethyl)-2-[2-(chloromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NN=C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)N

DOS

IR

Vibrations