Geometry & MOs

Info

ID:	393889
PubChem CID:	135021916
Reduced:	ClS2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	296.097249
ΔH_f, kcal/mol:	77.63
Dipole, Da:	1.29
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(difluoromethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC(=CC2=CC=C(C=C2)Cl)SCC3=CC=CC=C3

DOS

IR

Vibrations