Geometry & MOs

Info

ID:	29273
PubChem CID:	832749
Reduced:	ClSN2O3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-70.53
Dipole, Da:	3.05
IP(EA), eV:	-9.08(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC(=O)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

DOS

IR

Vibrations