Geometry & MOs

Info

ID:	430381
PubChem CID:	135170445
Reduced:	ClFO2N7C28H29 (1)
Stoich.:	ABC2D7E28F29 (1)
Weight, g/mol:	174.001847
ΔH_f, kcal/mol:	-15.59
Dipole, Da:	6.08
IP(EA), eV:	-8.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chlorocyclopropyl)-3-methyl-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CN(C1=C(C=CC(=C1)NC2=NC=C(C(=N2)NCCCCCCNC(=O)C3=CC=C(C=C3)C#N)Cl)F)C(=O)C=C

DOS

IR

Vibrations