Geometry & MOs

Info

ID:	393662
PubChem CID:	135021449
Reduced:	SO2N3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	292.10342
ΔH_f, kcal/mol:	84.41
Dipole, Da:	7.61
IP(EA), eV:	-9.05(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-methylphenyl)phenyl]methylsulfanyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)CSC3=NC=CC=N3

DOS

IR

Vibrations