Geometry & MOs

Info

ID:	432663
PubChem CID:	135172799
Reduced:	F3O8C34H41 (1)
Stoich.:	A3B8C34D41 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-474.18
Dipole, Da:	3.54
IP(EA), eV:	-9.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methylsulfanyl-2-phenoxybenzene-1,4-diamine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO)C2=CC(=C(C=C2)C3CCC(CC3)CCC(F)(F)F)C

DOS

IR

Vibrations