Geometry & MOs

Info

ID:	160439
PubChem CID:	57309787
Reduced:	NO2C26H33 (1)
Stoich.:	AB2C26D33 (1)
Weight, g/mol:	372.287574
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	8.87
IP(EA), eV:	-9.03(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(1R,2R)-3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]heptanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2CC[C@@H]3[C@@]2(CC[C@@H]4[C@H]3CCC5[C@@]4(C=CC(=O)N5)C)C

DOS

IR

Vibrations