Geometry & MOs

Info

ID:	133698
PubChem CID:	51576491
Reduced:	F2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	346.027335
ΔH_f, kcal/mol:	-308.34
Dipole, Da:	10.22
IP(EA), eV:	-8.78(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-6-(trifluoromethyl)pyrimidin-4-olate

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)OC(F)F)C3=C(CC(CC3=O)(C)C)O)O)C

DOS

IR

Vibrations