Geometry & MOs

Info

ID:	25159
PubChem CID:	620320
Reduced:	OH9C11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	406.072785
ΔH_f, kcal/mol:	-17.22
Dipole, Da:	1.94
IP(EA), eV:	-8.79(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC(C1C2=CC=CC=C2C3=CC=CC=C13)C4=CC=CC=C4

DOS

IR

Vibrations