Geometry & MOs

Info

ID:	296335
PubChem CID:	117569281
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	201.037898
ΔH_f, kcal/mol:	-62.58
Dipole, Da:	1.53
IP(EA), eV:	-8.25(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroanilino)propane-1-thiol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNCCCS)OC

DOS

IR

Vibrations