Geometry & MOs

Info

ID:	65416
PubChem CID:	29214886
Reduced:	SN5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	100.14
Dipole, Da:	7.43
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-1-[[(2S)-2-phenoxybutanoyl]amino]thiourea

Drug info:

PubChemData

Smile

C1CSCC[NH+]1CC2=CC=CC=C2C3=NN=N[N-]3

DOS

IR

Vibrations