Geometry & MOs

Info

ID:	69955
PubChem CID:	47205938
Reduced:	OSN5C13H23 (1)
Stoich.:	ABC5D13E23 (1)
Weight, g/mol:	296.04986
ΔH_f, kcal/mol:	-12.62
Dipole, Da:	2.15
IP(EA), eV:	-8.6(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)propan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCCNC(=O)NC2=NN=CS2

DOS

IR

Vibrations