Geometry & MOs

Info

ID:	148144
PubChem CID:	53787806
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	582.12869
ΔH_f, kcal/mol:	-145.5
Dipole, Da:	4.64
IP(EA), eV:	-9.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diacetyloxy-4-[(3R)-3-[[(1R,2S)-2-[4-(4-bromophenyl)sulfanylbutyl]-5-methylidenecyclopentyl]methyl]oxiran-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(=C)C1=CC=C(C=C1)C(C)(C)C(COC(=O)C=C)NC(=O)O

DOS

IR

Vibrations