Geometry & MOs

Info

ID:	231746
PubChem CID:	87574555
Reduced:	NC7H16 (2)
Stoich.:	AB7C16 (2)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	2.75
IP(EA), eV:	-8.53(2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)CC(C)(C)N

DOS

IR

Vibrations