Geometry & MOs

Info

ID:	317206
PubChem CID:	126633211
Reduced:	NH29C48 (1)
Stoich.:	AB29C48 (1)
Weight, g/mol:	400.224974
ΔH_f, kcal/mol:	210.2
Dipole, Da:	2.62
IP(EA), eV:	-8.15(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(N3C5=CC=C(C=C5)C6=C7C8=CC=CC=C8C9=CC=CC=C9C7=CC1=CC=CC=C16)C=CC1=CC=CC=C14

DOS

IR

Vibrations