Geometry & MOs

Info

ID:	1334
PubChem CID:	4191
Reduced:	N5O8C20H41 (1)
Stoich.:	A5B8C20D41 (1)
Weight, g/mol:	479.295513
ΔH_f, kcal/mol:	-365.88
Dipole, Da:	8.72
IP(EA), eV:	-9.18(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-diamino-3-[3-amino-5-hydroxy-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

Drug info:

PubChemData

Smile

CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC(C(O3)CNC)O)N)N)N)O

DOS

IR

Vibrations