Geometry & MOs

Info

ID:	396137
PubChem CID:	135027521
Reduced:	BrSN2H13C20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	312.048797
ΔH_f, kcal/mol:	111.38
Dipole, Da:	2.91
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(2-methylphenyl)-6-phenylsulfanylpyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=C(C(=NC=N2)Br)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations