Geometry & MOs

Info

ID:	160381
PubChem CID:	57309729
Reduced:	NO5C26H37 (1)
Stoich.:	AB5C26D37 (1)
Weight, g/mol:	388.26136
ΔH_f, kcal/mol:	-250.03
Dipole, Da:	5.77
IP(EA), eV:	-9.81(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2S,3R,6S)-2-(4-cyclohexyl-3-hydroxybut-1-ynyl)-3-hydroxy-6,8-dimethyl-7-bicyclo[4.2.0]octanylidene]butanoic acid

Drug info:

PubChemData

Smile

CC(=C(C[C@H]1[C@@H](N(C(O1)(C)C)C(=O)OCC2=CC=CC=C2)CC3CCCCC3)C(=O)O)C

DOS

IR

Vibrations