Geometry & MOs

Info

ID:	146141
PubChem CID:	53642947
Reduced:	SO3N4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	156.078644
ΔH_f, kcal/mol:	-49.5
Dipole, Da:	6.03
IP(EA), eV:	-9.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxycyclobutyl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)N)COC2=NC=CN=C2)N

DOS

IR

Vibrations