Geometry & MOs

Info

ID:	29379
PubChem CID:	833446
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-83.02
Dipole, Da:	2.7
IP(EA), eV:	-8.56(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3aS,7aS)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2CCCCC2

DOS

IR

Vibrations