Geometry & MOs

Info

ID:	436696
PubChem CID:	135207644
Reduced:	FN3O3C31H32 (1)
Stoich.:	AB3C3D31E32 (1)
Weight, g/mol:	455.182517
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	6.35
IP(EA), eV:	-9.09(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(6-butoxy-4,5-dihydroxyoxan-2-yl)methylsulfonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(C1)CN2CCC3(CC2)CC(=O)C4=C(O3)C=CC(=N4)C5=CC=C(C=C5)C(=O)NCC6=CC(=CC=C6)F

DOS

IR

Vibrations