Geometry & MOs

Info

ID:	58109
PubChem CID:	24424152
Reduced:	ClS2N3O3C19H28 (1)
Stoich.:	AB2C3D3E19F28 (1)
Weight, g/mol:	376.124549
ΔH_f, kcal/mol:	-113.29
Dipole, Da:	9.81
IP(EA), eV:	-8.5(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-(2-methoxydibenzofuran-3-yl)thiourea

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

DOS

IR

Vibrations