Geometry & MOs

Info

ID:	315689
PubChem CID:	126628576
Reduced:	NSO5C23H39 (1)
Stoich.:	ABC5D23E39 (1)
Weight, g/mol:	469.286195
ΔH_f, kcal/mol:	-279.24
Dipole, Da:	4.92
IP(EA), eV:	-9.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4S)-2-[(3S,5S)-7-(cyclopentanecarbonyloxy)-3-hydroxy-2,5,8,8-tetramethylnonan-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](CC1=N[C@H](CS1)CCC(=O)O)O)CC(C(C)(C)C)OC(=O)C2CCCC2

DOS

IR

Vibrations