Geometry & MOs

Info

ID:	231539
PubChem CID:	87574070
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	3.42
IP(EA), eV:	-8.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-(3-aminophenyl)phenoxy] ethanethioate

Drug info:

PubChemData

Smile

CC(=O)SOC1=C(C=CC(=C1)C2=CC=CC=C2N)N

DOS

IR

Vibrations