Geometry & MOs

Info

ID:	302824
PubChem CID:	124396984
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	352.224974
ΔH_f, kcal/mol:	-94.98
Dipole, Da:	3.03
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N([C@H]([C@@H](N2O)CO)CO)O

DOS

IR

Vibrations