Geometry & MOs

Info

ID:	77956
PubChem CID:	49681217
Reduced:	FO2S2N4C13H15 (1)
Stoich.:	AB2C2D4E13F15 (1)
Weight, g/mol:	354.082033
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	2.56
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2F

DOS

IR

Vibrations