Geometry & MOs

Info

ID:	388692
PubChem CID:	134989909
Reduced:	PCl3H3N3C5 (1)
Stoich.:	AB3C3D3E5 (1)
Weight, g/mol:	275.979398
ΔH_f, kcal/mol:	-18.06
Dipole, Da:	4.45
IP(EA), eV:	-9.97(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-5-(4-methoxyphenoxy)-1lambda4,2-dithia-4-azacyclopenta-3,5-dien-3-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NP(=N1)(Cl)Cl)Cl)C#N

DOS

IR

Vibrations