Geometry & MOs

Info

ID:	577
PubChem CID:	3021
Reduced:	N5O8C18H37 (1)
Stoich.:	A5B8C18D37 (1)
Weight, g/mol:	451.264213
ΔH_f, kcal/mol:	-374.11
Dipole, Da:	1.28
IP(EA), eV:	-9.52(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)N

DOS

IR

Vibrations