Geometry & MOs

Info

ID:	77970
PubChem CID:	49681287
Reduced:	BrO2S2N4C13H15 (1)
Stoich.:	AB2C2D4E13F15 (1)
Weight, g/mol:	376.023074
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	8.81
IP(EA), eV:	-8.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations