Geometry & MOs

Info

ID:	231710
PubChem CID:	87574491
Reduced:	SN3O5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-112.5
Dipole, Da:	7.06
IP(EA), eV:	-8.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-(2-aminophenyl)phenoxy] ethanethioate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(CC(=O)NC2=NC=CS2)N3CC4=CC=CC=C4C3=O)OC)OC

DOS

IR

Vibrations