Geometry & MOs

Info

ID:	390926
PubChem CID:	135001603
Reduced:	NF2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	304.10342
ΔH_f, kcal/mol:	-139.79
Dipole, Da:	6.49
IP(EA), eV:	-9.12(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-(2-methylphenyl)-2-phenylethenyl]sulfanylpyrimidine

Drug info:

PubChemData

Smile

CN(C)C(=O)/C=C/C1=C(C=C(C=C1F)OC)F

DOS

IR

Vibrations