Geometry & MOs

Info

ID:	436265
PubChem CID:	135196247
Reduced:	ClOSF3N4C14H16 (1)
Stoich.:	ABCD3E4F14G16 (1)
Weight, g/mol:	217.113902
ΔH_f, kcal/mol:	-158.35
Dipole, Da:	7.02
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-difluoro-6,7,8,9-tetrahydro-5H-cycloocta[d]triazole-1,5-diamine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)N=C/C(=C(\N)/Cl)/NC(=O)CCSCCC(F)(F)F

DOS

IR

Vibrations