Geometry & MOs

Info

ID:	77955
PubChem CID:	49681203
Reduced:	S2N5O5C16H19 (1)
Stoich.:	A2B5C5D16E19 (1)
Weight, g/mol:	342.062046
ΔH_f, kcal/mol:	-133.72
Dipole, Da:	6.68
IP(EA), eV:	-9.17(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations