Geometry & MOs

Info

ID:	160140
PubChem CID:	57304848
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	444.32396
ΔH_f, kcal/mol:	-98.37
Dipole, Da:	1.5
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1N)C=CC=C2C(=O)N[C@@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations