Geometry & MOs

Info

ID:	12294
PubChem CID:	134247
Reduced:	NO6C19H33 (1)
Stoich.:	AB6C19D33 (1)
Weight, g/mol:	371.230788
ΔH_f, kcal/mol:	-314.65
Dipole, Da:	4.34
IP(EA), eV:	-9.72(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2R)-2-hydroxyheptanoyl]amino]cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC[C@H](C(=O)N[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O)O

DOS

IR

Vibrations