Geometry & MOs

Info

ID:	84924
PubChem CID:	49870676
Reduced:	ClO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	417.170686
ΔH_f, kcal/mol:	-183.81
Dipole, Da:	3.43
IP(EA), eV:	-9.38(-0.36)
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]-N-methylhept-5-enamide

Drug info:

PubChemData

Smile

C1C=C([C@H](C1=O)C/C=C\CCCC(=O)O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations