Geometry & MOs

Info

ID:	195813
PubChem CID:	78734063
Reduced:	SN3O3C18H28 (1)
Stoich.:	AB3C3D18E28 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-90.35
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755518
Charge, e:	0

Chem-info

IUPAC name:

[1-(dimethylamino)-1-oxopropan-2-yl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations