Geometry & MOs

Info

ID:	77957
PubChem CID:	49681218
Reduced:	S2O3N4C14H18 (1)
Stoich.:	A2B3C4D14E18 (1)
Weight, g/mol:	262.055818
ΔH_f, kcal/mol:	-37.71
Dipole, Da:	6.56
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)OC

DOS

IR

Vibrations