Geometry & MOs

Info

ID:	179575
PubChem CID:	76502239
Reduced:	Cl2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	56.08
Dipole, Da:	1.73
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-5-(1-piperazin-1-ylethyl)-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1C(C(NN1)NC2=CC(=CC=C2)Cl)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations