Geometry & MOs

Info

ID:	1984
PubChem CID:	5496
Reduced:	N5O9C18H37 (1)
Stoich.:	A5B9C18D37 (1)
Weight, g/mol:	467.259128
ΔH_f, kcal/mol:	-415.5
Dipole, Da:	3.2
IP(EA), eV:	-9.38(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol

Drug info:

PubChemData

Smile

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N

DOS

IR

Vibrations