Geometry & MOs

Info

ID:	405593
PubChem CID:	135074603
Reduced:	NS2O5C34H35 (1)
Stoich.:	AB2C5D34E35 (1)
Weight, g/mol:	543.154944
ΔH_f, kcal/mol:	-81.97
Dipole, Da:	8.81
IP(EA), eV:	-8.6(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-2,2-dimethylhex-4-yn-3-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC#CC(C(C)(C)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations