Geometry & MOs

Info

ID:	179168
PubChem CID:	76444865
Reduced:	NF2O3C8H9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	320.929716
ΔH_f, kcal/mol:	-239.58
Dipole, Da:	3.44
IP(EA), eV:	-11.35(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(2,4,6-trichlorophenyl)sulfanyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C2C(CC(C1F)F)OC(=O)NC2=O

DOS

IR

Vibrations