Geometry & MOs

Info

ID:	77947
PubChem CID:	49681161
Reduced:	OS2N5C8H9 (1)
Stoich.:	AB2C5D8E9 (1)
Weight, g/mol:	334.055818
ΔH_f, kcal/mol:	63.84
Dipole, Da:	2.51
IP(EA), eV:	-9.52(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC2=NN=C(S2)SCC#N

DOS

IR

Vibrations