Geometry & MOs

Info

ID:	65373
PubChem CID:	29214812
Reduced:	SO2F3N9C21H26 (1)
Stoich.:	AB2C3D9E21F26 (1)
Weight, g/mol:	339.143905
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	9.91
IP(EA), eV:	-8.54(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations