Geometry & MOs

Info

ID:	47174
PubChem CID:	10530228
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	530.279923
ΔH_f, kcal/mol:	-106.24
Dipole, Da:	6.33
IP(EA), eV:	-9.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-3-[6-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoylamino]hexyl]urea

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C=C(O1)C)O

DOS

IR

Vibrations