Geometry & MOs

Info

ID:	28061
PubChem CID:	825363
Reduced:	OSN3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	262.088832
ΔH_f, kcal/mol:	-24.19
Dipole, Da:	2.97
IP(EA), eV:	-9.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CCCC(=O)NC1=NN=C(S1)C(C)C

DOS

IR

Vibrations