Geometry & MOs

Info

ID:	438925
PubChem CID:	135228686
Reduced:	NSO4C26H33 (1)
Stoich.:	ABC4D26E33 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-139.8
Dipole, Da:	7.31
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C/C=C(\C(=O)/C=C(\C)/C1=CC(=C(C=C1CC(C)C(C)(C)C)C2=CN=C(S2)C)OC)/C(=O)O

DOS

IR

Vibrations