Geometry & MOs

Info

ID:	407229
PubChem CID:	135079621
Reduced:	OH19C24 (2)
Stoich.:	AB19C24 (2)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	292.12
Dipole, Da:	3.65
IP(EA), eV:	-8.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-(benzenesulfonyl)-4-methylpent-2-enoate

Drug info:

PubChemData

Smile

CC#CCOCC1=CC(=C(C=C1C#CC2=C(C=CC3=CC=CC=C32)CCC#C)C#CC4=C(C=CC5=CC=CC=C54)CCC#C)COCC#CC

DOS

IR

Vibrations