Geometry & MOs

Info

ID:	18502
PubChem CID:	541896
Reduced:	N5O7C20H39 (1)
Stoich.:	A5B7C20D39 (1)
Weight, g/mol:	461.284949
ΔH_f, kcal/mol:	-316.57
Dipole, Da:	1.8
IP(EA), eV:	-9.21(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-diamino-3-[[3-amino-6-(1-aminoethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

Drug info:

PubChemData

Smile

CC(C1C=CC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)N

DOS

IR

Vibrations