Geometry & MOs

Info

ID:	399419
PubChem CID:	135040178
Reduced:	O4C11H18 (1)
Stoich.:	A4B11C18 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-192.64
Dipole, Da:	1.98
IP(EA), eV:	-10.36(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropyl)-2-(4-methylphenyl)sulfonylpent-4-enenitrile

Drug info:

PubChemData

Smile

C/C(=C\C(=O)OC)/CCCCC(=O)OC

DOS

IR

Vibrations