Geometry & MOs

Info

ID:	49996
PubChem CID:	11538637
Reduced:	OSN6C20H30 (1)
Stoich.:	ABC6D20E30 (1)
Weight, g/mol:	402.070595
ΔH_f, kcal/mol:	47.15
Dipole, Da:	3.04
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)diazenyl]-4,6-diphenyl-5H-pyrimidine-2-thione

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCOC3=NN=CS3)C4CC4

DOS

IR

Vibrations