Geometry & MOs

Info

ID:	1798
PubChem CID:	5066
Reduced:	N4O10C17H34 (1)
Stoich.:	A4B10C17D34 (1)
Weight, g/mol:	454.227493
ΔH_f, kcal/mol:	-456.16
Dipole, Da:	2.29
IP(EA), eV:	-9.28(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations