Geometry & MOs

Info

ID:	150457
PubChem CID:	53790147
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	483.039115
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	3.8
IP(EA), eV:	-9.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-5-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

COCCOC1=C(C=CC(=C1)OC)C=O

DOS

IR

Vibrations