Geometry & MOs

Info

ID:	271926
PubChem CID:	103701545
Reduced:	NSCl2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	209.087435
ΔH_f, kcal/mol:	3.73
Dipole, Da:	0.64
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(thiolan-3-ylamino)methyl]phenol

Drug info:

PubChemData

Smile

C1CSCC1NCC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations