Geometry & MOs

Info

ID:	53537
PubChem CID:	14716512
Reduced:	ClFN2O3H10C16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	510.356523
ΔH_f, kcal/mol:	-109.63
Dipole, Da:	9.31
IP(EA), eV:	-9.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(dodecylsulfanyl)benzene-1,4-diol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N2C=CC(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O)N

DOS

IR

Vibrations