Geometry & MOs

Info

ID:	59573
PubChem CID:	24875322
Reduced:	NSO5F6C29H29 (1)
Stoich.:	ABC5D6E29F29 (1)
Weight, g/mol:	473.099182
ΔH_f, kcal/mol:	-488.25
Dipole, Da:	5.81
IP(EA), eV:	-9.07(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S,6R)-5-acetamido-3,4-dihydroxy-2-methyl-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl hydrogen sulfate

Drug info:

PubChemData

Smile

C1CC(CCC1COC2=CC=CC=C2SC3=C(C(=C(C=C3)/C=C/C(=O)N4CCOCC4)C(F)(F)F)C(F)(F)F)C(=O)O

DOS

IR

Vibrations