Geometry & MOs

Info

ID:	148494
PubChem CID:	53788157
Reduced:	O3C27H52 (1)
Stoich.:	A3B27C52 (1)
Weight, g/mol:	364.297745
ΔH_f, kcal/mol:	-231.87
Dipole, Da:	1.33
IP(EA), eV:	-9.35(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1S,2S,3R)-2-[4-hydroxy-4-(1-methylcyclobutyl)butyl]-3,5-dimethylcyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC.CC.C[C@@H]1CC([C@@H]([C@H]1CCCC(C2(CCC2)C)O)C/C=C\CCCC(=O)O)C

DOS

IR

Vibrations