Geometry & MOs

Info

ID:	25875
PubChem CID:	632300
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	512.11465
ΔH_f, kcal/mol:	-193.26
Dipole, Da:	4.61
IP(EA), eV:	-8.54(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethoxy-[6-methyl-5-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane

Drug info:

PubChemData

Smile

COCN1C=C(C2=C1C=CC3=C2C(=CN3COC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations