Geometry & MOs

Info

ID:	49281
PubChem CID:	11532632
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	456.287574
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	1.7
IP(EA), eV:	-8.54(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[(R)-hydroxy-[(2R,3R)-3-[4-[(4-methoxyphenyl)methoxy]butyl]oxiran-2-yl]methyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC3=C(C=C2)OCCO3)CCC(=O)NC4=CC=CC5=C4N=C(C=C5)C#N

DOS

IR

Vibrations