Geometry & MOs

Info

ID:	342632
PubChem CID:	127265792
Reduced:	N3O6H15C16 (1)
Stoich.:	A3B6C15D16 (1)
Weight, g/mol:	238.102751
ΔH_f, kcal/mol:	-129.07
Dipole, Da:	7.4
IP(EA), eV:	-10.09(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-but-2-enylsulfinylethyl)-4-methoxybenzene

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(NC1=O)C(=CC2=CC(=C(C=C2)[N+](=O)[O-])O)C

DOS

IR

Vibrations