Geometry & MOs

Info

ID:	77971
PubChem CID:	49681289
Reduced:	ClFO2S2N4C13H14 (1)
Stoich.:	ABC2D2E4F13G14 (1)
Weight, g/mol:	358.032496
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	2.52
IP(EA), eV:	-8.8(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SCC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations