Geometry & MOs

Info

ID:	231538
PubChem CID:	87574069
Reduced:	ClN3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	60.77
Dipole, Da:	5.89
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)Cl

DOS

IR

Vibrations