Geometry & MOs

Info

ID:	84923
PubChem CID:	49870674
Reduced:	NO6C26H37 (1)
Stoich.:	AB6C26D37 (1)
Weight, g/mol:	404.139052
ΔH_f, kcal/mol:	-254.03
Dipole, Da:	3.21
IP(EA), eV:	-9.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1[C@@H](C(C(C1=O)/C=C/C(CCC2=CC=CC=C2)O)C/C=C\CCCC(=O)NC(CO)CO)O

DOS

IR

Vibrations