Geometry & MOs

Info

ID:	435776
PubChem CID:	135192380
Reduced:	ClOF2N5C14H14 (1)
Stoich.:	ABC2D5E14F14 (1)
Weight, g/mol:	294.03421
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	3.93
IP(EA), eV:	-8.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(Z)-1-amino-2-aminosulfanylethenyl]-5-chlorophenyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)C2=C(C=CC(=C2)Cl)N(/C=C(/C(F)F)\N)N

DOS

IR

Vibrations