Geometry & MOs

Info

ID:	231723
PubChem CID:	87574522
Reduced:	F3O3C8H11 (1)
Stoich.:	A3B3C8D11 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-288.95
Dipole, Da:	7.63
IP(EA), eV:	-10.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-amino-5-(4-aminophenyl)phenoxy] ethanethioate

Drug info:

PubChemData

Smile

CC(C=C(C)C(=O)O)OCC(F)(F)F

DOS

IR

Vibrations