Geometry & MOs

Info

ID:	442061
PubChem CID:	135248895
Reduced:	ClFSN3O3H21C24 (1)
Stoich.:	ABCD3E3F21G24 (1)
Weight, g/mol:	338.21697
ΔH_f, kcal/mol:	-87.4
Dipole, Da:	6.5
IP(EA), eV:	-9.03(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-difluoro-5-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]-2-propan-2-ylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)NC1=CC=CC(=C1F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations