Geometry & MOs

Info

ID:	394870
PubChem CID:	135024011
Reduced:	ClNC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	446.094512
ΔH_f, kcal/mol:	30.08
Dipole, Da:	2.35
IP(EA), eV:	-9.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-tris[(4-methylphenyl)sulfanyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)[C@H]([C@@H](C2=CC(=CC=C2)Cl)N)N

DOS

IR

Vibrations