Geometry & MOs

Info

ID:	17656
PubChem CID:	509875
Reduced:	OSCl2N4C20H28 (1)
Stoich.:	ABC2D4E20F28 (1)
Weight, g/mol:	442.136088
ΔH_f, kcal/mol:	-31.88
Dipole, Da:	5.3
IP(EA), eV:	-8.43(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations