Geometry & MOs

Info

ID:	65341
PubChem CID:	29214724
Reduced:	SO3N9C22H29 (1)
Stoich.:	AB3C9D22E29 (1)
Weight, g/mol:	339.143905
ΔH_f, kcal/mol:	25.67
Dipole, Da:	10.39
IP(EA), eV:	-8.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-1-(4-phenylsulfanylbutanoylamino)thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCCC(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations