Geometry & MOs

Info

ID:	124450
PubChem CID:	50883995
Reduced:	Cl2N2O5H20C22 (1)
Stoich.:	A2B2C5D20E22 (1)
Weight, g/mol:	328.063011
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	9.86
IP(EA), eV:	-8.99(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-yl]methylideneamino]thiourea

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C(=C2)Cl)OC(C)C)OC)C3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations