Geometry & MOs

Info

ID:	230535
PubChem CID:	87571276
Reduced:	O8C29H32 (2)
Stoich.:	A8B29C32 (2)
Weight, g/mol:	468.392708
ΔH_f, kcal/mol:	-302.29
Dipole, Da:	2.61
IP(EA), eV:	-8.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl (2S)-5-amino-2-(octadecanoylamino)-5-oxopentanoate

Drug info:

Smile

C1C(O1)COC2=CC(=C(C=C2)OCC3CO3)C45CC6(CC(C4)(CC(C5)(C6)C7=C(C=CC(=C7)OCC8CO8)OCC9CO9)C1=C(C=CC(=C1)OCC1CO1)OCC1CO1)C1=C(C=CC(=C1)OCC1CO1)OCC1CO1

DOS

IR

Vibrations