Geometry & MOs

Info

ID:	16478
PubChem CID:	470523
Reduced:	ClSN3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	327.059696
ΔH_f, kcal/mol:	76.01
Dipole, Da:	2.53
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[(4-phenylphenyl)methylsulfanyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N

DOS

IR

Vibrations