Geometry & MOs

Info

ID:	308334
PubChem CID:	125326221
Reduced:	SO3N4H26C28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	340.26136
ΔH_f, kcal/mol:	2.38
Dipole, Da:	6.52
IP(EA), eV:	-8.46(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S,2R,5S)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CS[C@H]2N=C3C4=CC=CC=C4N=C3C(=O)N2C5=CC(=CC(=C5)C)C

DOS

IR

Vibrations