Geometry & MOs

Info

ID:	223547
PubChem CID:	85335215
Reduced:	ON6C24H34 (1)
Stoich.:	AB6C24D34 (1)
Weight, g/mol:	423.135173
ΔH_f, kcal/mol:	27.33
Dipole, Da:	4.6
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3C(=C2)N=CN3CCCCN4CCNCC4)C

DOS

IR

Vibrations