Geometry & MOs

Info

ID:	25128
PubChem CID:	619283
Reduced:	SO2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	335.115758
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	3.52
IP(EA), eV:	-8.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[3-(1,3-dioxoisoindol-2-yl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3C(=N2)CCC(=O)N3)C

DOS

IR

Vibrations