Geometry & MOs

Info

ID:	77951
PubChem CID:	49681182
Reduced:	ClOS2N4C13H13 (1)
Stoich.:	ABC2D4E13F13 (1)
Weight, g/mol:	340.021931
ΔH_f, kcal/mol:	44.33
Dipole, Da:	0.8
IP(EA), eV:	-8.98(-1.31)
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-cyclopropylurea

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations