Geometry & MOs

Info

ID:	382130
PubChem CID:	134973080
Reduced:	OH18C25 (1)
Stoich.:	AB18C25 (1)
Weight, g/mol:	503.193751
ΔH_f, kcal/mol:	63.67
Dipole, Da:	0.46
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[[(1R,2R)-2-aminocyclohexyl]carbamothioylamino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C3=C(O2)C4=CC=CC=C4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations