Geometry & MOs

Info

ID:	65402
PubChem CID:	29214861
Reduced:	ClSO2N9C21H28 (1)
Stoich.:	ABC2D9E21F28 (1)
Weight, g/mol:	311.112605
ΔH_f, kcal/mol:	45.21
Dipole, Da:	7.92
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-1-methylthiourea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCCC(=O)NC3=CC(=C(C=C3)Cl)OC

DOS

IR

Vibrations