Geometry & MOs

Info

ID:	226254
PubChem CID:	87350238
Reduced:	Cl2N2O2S2C9H12 (1)
Stoich.:	A2B2C2D2E9F12 (1)
Weight, g/mol:	625.032141
ΔH_f, kcal/mol:	-43.81
Dipole, Da:	5.83
IP(EA), eV:	-9.2(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N(C1=CC=CC=C1)SC(Cl)Cl

DOS

IR

Vibrations