Geometry & MOs

Info

ID:	80427
PubChem CID:	49834407
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	350.108899
ΔH_f, kcal/mol:	-31.73
Dipole, Da:	6.98
IP(EA), eV:	-8.92(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(4-methylphenyl)-4-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)N=C1C2=CC=CC=C2)C

DOS

IR

Vibrations