Geometry & MOs

Info

ID:	178410
PubChem CID:	76323978
Reduced:	ClOS2N7H14C22 (1)
Stoich.:	ABC2D7E14F22 (1)
Weight, g/mol:	407.037428
ΔH_f, kcal/mol:	154.52
Dipole, Da:	5.78
IP(EA), eV:	-8.94(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-(2-hydroxyethyl)-5-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-3-id-4-ylidene)methyl]thiophen-2-yl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=S)NC2=CC3=C(C=C2)N=CN=C3SC4=NN=C(O4)C5=CN=CC=C5)Cl

DOS

IR

Vibrations