Geometry & MOs

Info

ID:	250133
PubChem CID:	103094370
Reduced:	ClOSN3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	321.033876
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	5.51
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-carbamothioylphenoxy)-N-(3-chloropyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=S)N)C(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations